1-Phenylthiourea 苯基硫脲

CAS 103-85-5 MFCD00004933

化学结构图

103-85-5
SMILES: NC(=S)NC1CCCCC1

化学属性

Mol. FormulaC7H8N2S
Mol. Weight152.22
Melting Point145-150°C
TSCAYes
Density1.294
Stability对湿度敏感
Appearance 苯基硫脲(103-85-5)为白色针状结晶。熔点154℃。易溶于乙醇，能溶于400份冷水，17份热水中。微具苦味。
Boiling Point266.7°C at 760 mmHg
Flash Point115.1°C

别名和识别编码

Chemical Name1-Phenylthiourea
MDL NumberMFCD00004933
CAS Number103-85-5
Synonym Phenylthiourea {LY} Phenylthiourea {} {LY} Phenylthiourea {} {} {LY} Phenylthiourea {} {} {} {LY} Phenylthiourea {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylthiourea
PubChem Substance ID87574480
Beilstein Registry Number907309
EC Number203-151-2
Merck Number7315
Reaxys-RN907309
Chemical Name Translation苯基硫脲
Wiswesser Line NotationSUYZMR
LabNetwork Molecule IDLN00116464
InChIInChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
Canonical SMILESS=C(NC1=CC=CC=C1)N
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Bioactive Small Molecule Alphabetical Index, Building Blocks, Chemical Synthesis, Organic Building Blocks, PA-PH, Sulfur Compounds, Thioureas, 生物活性小分子, 细胞生物学
  • {SNA} Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis,
  • {SNA} Analytical Standards, Flavor and Fragrance Standards, Food and Cosmetic Component Standards, M-Z, 分析/色谱
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thioureas
  • {SNA} Bioactive Small Molecules, Building Blocks, Chemical Synthesis, Organic Building Blocks,

产品应用

  • 检定铜、金、汞、钯、铂和银。有机微量分析测定氮和硫的标准物质。用于生产2-氨基苯并噻唑、3-甲基苯并噻唑腙等染料中间体。也用作分析试剂。

相关文献及参考

  • Merck:14,7315 Beilstein:12,388
  • Short: II/27B
  • Short: IV/1a
  • Merck:14,7315

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352+P333+P313+P362+P364
  • P333+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H300 Fatal if swallowed 吞食致命
RTECSYU1400000
Personal Protective Equipment Eyeshields, Faceshields, 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
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Packing GroupI
UN Number 2811 UN 2811 6.1/PG 1
Risk Statements
  • R28 Very toxic if swallowed 吞咽极毒
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Hazard Codes 6.1 T+
Storage condition 2-8°C {LY} 2-8°C Poison room Store at room temperature {} {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 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 mg/kg
TOXIC EFFECTS :
   Endocrine - hyperglycemia
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 89,186,1947

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMPCAS Journal of Medicinal and Pharmaceutical Chemistry.  (Washington, DC)
   V.1-5, 1959-62.  For publisher information, see JMCMAR.
   Volume(issue)/page/year: 4,109,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to
   the National Cancer Institute by Litton Bionetics, Inc.  (Bethesda, MD)
   Volume(issue)/page/year: NCI-E-C-72-3252,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 8 mmol/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   24,181,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 168 mg/kg
SEX/DURATION            : female 1-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - cytological changes (including
   somatic cell genetic material)
   Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 34,1319,1978

其他信息

  • 图谱信息:苯基硫脲(103-85-5)红外图谱(IR2) 苯基硫脲(103-85-5)质谱(MS) 苯基硫脲(103-85-5)红外图谱(IR1) 苯基硫脲(103-85-5)核磁图( 1 HNMR)
  • MOL 文件:103-85-5.mol
  • Acros Organics:1-苯基-2-硫脲 C7 H8 N2 S 1-Phenyl-2-thiourea, 97%(103-85-5)
  • 用途二:检定铜、金、汞、钯、铂和银。有机微量分析测定氮和硫的标准物质。用于生产2-氨基苯并噻唑、3-甲基苯并噻唑腙等染料中间体。也用作分析试剂。
  • 上游原料:硫氰酸钠
  • Sigma Aldrich:103-85-5(sigmaaldrich)
  • 苯基硫脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0237 1-苯基-2-硫脲 1-Phenyl-2-thiourea 25G 455元 2014/06/02 P0237 1-苯基-2-硫脲 1-Phenyl-2-thiourea 500G 3790元 2010/06/21 207250050 苯基硫脲 1-Phenyl-2-thiourea 97% 5 GR 245元
  • 下游产品:2-氨基苯并噻唑 --> 4-苯氧基-2,6-二异丙基苯硫代异氰酸酯
  • TCI Shanghai:1-苯基-2-硫脲 1-Phenyl-2-thiourea,>;98.0%(N)(103-85-5)
  • Alfa Aesar:苯硫脲,97% N-Phenylthiourea, 97%(103-85-5)
  • 用途一:用于生产2-氨基苯并噻唑、3-甲基苯并噻唑腙等染料中间体。也用作分析试剂。
  • 方法一:由苯胺先与硫酸成盐，再与硫氰化钠进行加成反应而得。
  • 苦味或无味(根据试味者的遗传特征)。水中溶解度: 1 G/L (20°C)，溶于400份冷水、17份沸水，溶于乙醇、AQ、乙醚和氢氧化钠碱液。剧毒，半数致死量(大鼠，经口)3mg/kg。

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. P - Bioactive Small Molecules
  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. 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

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