2-Imidazolidinethione 2-硫醇基咪唑啉

CAS 96-45-7 MFCD00005276

化学结构图

96-45-7
SMILES: S=C1NCCN1

化学属性

Mol. FormulaC3H6N2S
Mol. Weight102.16
Melting Point197-201 °C
Flash Point252 ºC
Solubility19 G/L (20 ºC)
Stability对湿度敏感
Density1.44
Appearance 白色至淡绿色晶体，具有微弱的氨臭。 微溶于冷水，易溶于热水，在室温下微溶于乙醇、甲醇、醋酸和汽油中，不溶于丙酮、乙醚和氯仿中。
Boiling Point148.3 °C at 760 mmHg

别名和识别编码

Chemical Name2-Imidazolidinethione
Synonym Ethylenethiourea {LY} Ethylenethiourea {} {LY} Ethylenethiourea {} {} {LY} Ethylenethiourea {} {} {} {LY} Ethylenethiourea {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00005276
PubChem Substance ID87571414
Beilstein Registry Number106275
CAS Number96-45-7
EC Number202-506-9
Reaxys-RN106275
Merck Number3803
Chemical Name Translation2-硫醇基咪唑啉
Wiswesser Line NotationT5MYMTJ BUS
LabNetwork Molecule IDLN00198823
InChIInChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
Canonical SMILESS=C1NCCN1
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 5ring; 1fragment
  • {SNA} Biochemicals and Reagents, Building Blocks, Chemical Synthesis, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Organic Building Blocks, P to Q, Peroxidase Inhibitors, Sulfur Compounds, Thioureas
  • {SNA} Bui
  • {SNA} Building Blocks, Chemical Synthesis, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Organic Building Blocks, P to Q, Peroxidase Inhibitors, Sulfur Compounds, Thioureas, 生化试剂, 酶、抑制剂和底物
  • {SNA} All alphabetically sorted, Alphabetical Index of Analytical Standards,

产品应用

  • 硫化促进剂

相关文献及参考

  • Short: III/20a
  • Merck: 14,3803 Beilstein:24,4
  • Short: III/35B
  • Merck: 14,3803

安全信息

RTECSNI9625000
GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P308+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H302 Harmful if swallowed 吞食有害
  • H351 Suspected of causing cancer 怀疑致癌
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
Hazard Codes 6.1 T
WGK Germany3
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R48/23/25
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
Packing GroupIII
UN Number 2811
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class6.1(b) 
TYPE OF TEST            : TDLo - Lowest pu

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5470 mg/kg/26W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(2),25,1988

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 146 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   EJTXAZ European Journal of Toxicology and Environmental Hygiene.  (Paris,
   Franc

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 77 gm/kg/82W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   42,1101,1969

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 9125 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Endocrine - tumors
   Endocrine - thyroid tumors
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,493,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: A

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1832 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BECTA6 Bulletin of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   07094)  V.1-    1966-  Volume(issue)/page/year: 7,19,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

{hazard_

TYPE OF TEST            : LD50 - Lethal d

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 21,71,1980

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 39200 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 172,139,1986

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 395,229,1997

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 300 mg/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1981- Volume(issue)/page/year:
   1,502,1981

TYPE OF TEST            : Host-mediated assay
TEST SYSTEM             : Rodent - mouse Bacteria - Salmonella typhimurium
DOSE/DURATION           : 6 gm/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands)

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 200 mg/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1981- Volume(issue)/page/year:
   1,

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 20 mg/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 38,122,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 60 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,273,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 10 mg/kg
SEX/DURATION            : female 17 day(s) after conception
TOXIC EFFEC

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 60 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 24,131,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - gastrointestinal
   system
REFERENCE :
   SEIJBO Senten Ijo.  Congenital Anomalies.  (Nippon Senten Ijo Gakkai, c/o
   Kinki Daigaku Igakubu Kaibagaku Kyoshitsu, 380 Nishiyama, Sayama-cho,
   Mirami-Kawachi-gun, Osaka-fu, Japan) V.1-26, 1960-86. For publisher
   information, see CGANE7.  Volume(issue)/page/year: 18,241,1978

其他信息

  • Sigma Aldrich:96-45-7(sigmaaldrich)
  • 用途二:用作氯丁胶、氯磺化聚乙烯橡胶、氯乙醇橡胶、聚丙烯酸酯橡胶的促进剂
  • 1,2-亚乙基硫脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0004 乙烯基硫脲 Ethylenethiourea 500G 726元 2014/06/02 I0004 乙烯基硫脲 Ethylenethiourea 25G 179元 2010/06/21 122030010 1,2-亚乙基硫脲 2-Imidazolidinethione 98% 1 KG 2608元
  • 图谱信息:1,2-亚乙基硫脲(96-45-7)核磁图( 1 HNMR) 1,2-亚乙基硫脲(96-45-7)红外图谱(IR1) 1,2-亚乙基硫脲(96-45-7)核磁图( 13 CNMR) 1,2-亚乙基硫脲(96-45-7)红外图谱(IR2) 1,2-亚乙基硫脲(96-45-7)质谱(MS)
  • 方法一:将24 kg乙二胺，48 kg工业酒精，60 kg蒸馏水依次投入反应釜。搅拌下，缓缓加入32 kg CS 2 ，滴加过程中控制温度在60 ℃左右。加完CS 2 后升温至100 ℃，回流1 h。然后加入3.6 kg浓盐酸回流9～10 h。冷却结晶。吸滤用丙酮洗涤干燥得产品。收率约80%～85%。
  • 方法二:在搪玻璃反应锅内，加入水和乙二胺，降温20℃，加入二硫化碳，控制在35-40℃，反应4小时，升温回收二硫化碳，生成乙烯基二硫代氨基甲酸盐。将乙烯基二硫代氨基甲酸盐冷却至50℃以下，加入盐酸，升温即放出硫化氢，环化生成乙烯硫脲。环化反应时，也可用乙酸代替盐酸进行反应，得到的粗制乙烯硫脲用沸水溶解，过滤，冷却析出结晶，经脱水干燥、粉碎而得成品。（公斤/吨）乙二胺（70%） 740二硫化碳（95%） 1250
  • TCI Shanghai:乙烯基硫脲 Ethylenethiourea,>;98.0%(T)(96-45-7)
  • 上游原料:氢氧化钠 --> 甲醇 --> 三氯氧磷 --> 氮 --> 硫脲 --> 二硫化碳 --> 乙二胺 --> 甲酰胺 --> 浓盐酸 --> 三氯乙烯 --> 搪玻璃反应锅 --> 工业酒精 --> 二硫代氨基甲酸盐
  • 易溶于热水。90℃时，100毫升水中可溶本品44克，但在30℃水中只溶2克。溶于醇、乙二醇和吡啶，不溶于醚、苯、氯仿和石油醚。
  • Acros Organics:2-咪唑啉硫酮/乙烯基硫脲 2-Imidazolidinethione, 98%(96-45-7)
  • MOL 文件:96-45-7.mol
  • 用途四:本品为咪唑啉类硫化促进剂，可用于氯丁橡胶、氯醇橡胶、氯化聚乙烯等，特别适合于作非硫化体系的氯丁胺的安合促进剂。能常在100-500℃下，选用适当的配合体系，就可进行快速的最佳硫化，且操全安全。其硫化制品抗张强度高，永久压缩变形小，用于W型（即54-1型氯丁橡胶）的非硫化体系进效果显著。它通常与氧化锌和氧化镁一起配合使用，主要用于工业制品、被覆电线、鞋衣等氯丁橡胶制品。乙烯硫脲是硫酸铜的辅助光亮剂。本品也用作精细化学的中间体，用于制造抗氧剂、杀虫剂、杀真菌剂、染料、药物和合成树脂。
  • 用途三:用作合成橡胶的促进剂
  • 用途五:本品为咪唑啉类硫化促进剂，可用于氯丁橡胶、氯醇橡胶、氯化聚乙烯等，特别适合于作非硫化体系的氯丁胺的安合促进剂。主要用于工业制品、被覆电线、鞋衣等氯丁橡胶制品。乙烯硫脲是硫酸铜的辅助光亮剂。本品也用作精细化学的中间体，用于制造抗氧剂、杀虫剂、杀真菌剂、染料、药物和合成树脂。
  • 海关编码:29332990
  • MSDS 信息:1,3-Ethylenethiourea(96-45-7).msds
  • 用途一:本品溶于热酒精溶液。用作镀铜光亮剂，常与酸性镀铜光亮剂M,SPS等配合使用

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazolines/Imidazolidines 咪唑啉/咪唑烷
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazolines/Imidazolidines 咪唑啉/咪唑烷
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thioureas - Sulfur Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Alpha sort - Pesticides & Metabolites
  7. H-M - Alpha sort
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiols/Mercaptans
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Fluorous Chemistry 氟化学
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Analytical Enzymes
  5. Peroxidase Enzymes and Reagents
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Pepsin

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