Methyl Isothiocyanate 异硫氰酸甲酯

CAS 556-61-6 MFCD00004818

化学结构图

556-61-6
SMILES: CN=C=S

化学属性

Mol. FormulaC2H3NS
Mol. Weight73
Boiling Point117-118
Vapor Pressure21 mmHg ( 20 °C)
Density1.069
Melting Point30-34
Flash Point35°C
TSCAYes
Solubility微溶于水，易溶于乙醇、乙醚。
Stability对湿度敏感
pH:A

别名和识别编码

Chemical NameMethyl Isothiocyanate
Synonym (Methylimino)(thioxo)methane AKOS BBS-00004313 Biomet 33 CH3NCS Isothiocyanatomethane; Methyl mustard-oil; MTC Isothiocyanic Acid Methyl Ester Isothiocyanic acid, methyl ester Isotiocianato di metile METHYL ISOTHIOCYANATE METHYL MUSTARD-OIL MIT (pesticide) MITC MUSTARD OIL MeNCS Methyl mustard oil Methyl-isothiocyanat Methylisothiocyanat Morton EP-161E Trapex Trapex-40 Trapexide WN 12 ai3-28257 isothiocyanatedemethyle isothiocyanatomethane isothiocyanic acid, methyl ester methane, isothiocyanato- 异硫氰酸甲酯 甲基异硫氰酸盐 硫代异氰酸甲酯
MDL NumberMFCD00004818
CAS Number556-61-6
PubChem Substance ID125309560
EC Number209-132-5
Beilstein Registry Number605319
Merck Number6092
Chemical Name Translation异硫氰酸甲酯
Reaxys-RN605319
Wiswesser Line NotationSCN1
LabNetwork Molecule IDLN00163276
InChIInChI=1S/C2H3NS/c1-3-2-4/h1H3
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {SA} Armoracia rusticana (Horseradish), Building Blocks, Chemical Synthesis, Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Sulfur Compounds, Thiocyanates/Isothiocyanates
  • {uni_hamburg} no charge; 1fragment
  • {SNA} Alphabetical Index of Analytical Standards, All alphabetically sorted, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, Fungicides, H-M, Herbicides, M, META - METH, Nematicides, Others, Pesticides & Metabolites,

产品应用

  • 用于氨基酸测序分析

相关文献及参考

  • Amino acids are converted by this reagent into 2-thionoimidazolidin-4-ones, useful in protein analysis: Tetrahedron, 26, 5479 (1970); Anal. Lett., 359 (1970).
  • Merck:14,6092 Beilstein:4(4)248
  • Short: II/19b
  • Short: II/19c
  • Merck:14,6092
  • Reaction with thioamides, e.g. 2-Cyanothioacetamide, A15436 and sulfur leads to thiazoline-2-thiones: J. Prakt. Chem., 332, 223 (1990):
  • For general reactions of isothiocyanates, see Appendix 3.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H310 Fatal in contact with skin 皮肤接触致命
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H330 Fatal if inhaled 吸入致命
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
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 dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
RTECSPA9625000
Precautionary statements
  • 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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352+P310+P361+P364
  • P304+P340+P310
  • P305+P351+P338+P337+P313
  • P308+P311
  • P337+P313
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
  • 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；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Packing GroupI
UN Number 2477
Risk Statements
  • R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
  • R34 Causes burns 会导致灼伤
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R50/53
Storage condition Moisture Sensitive 储存温度 2-8°C 2-8°C
Hazard Codes 6.1 T,N
Hazard Class6.1/3
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 82 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NNGADV Nippon Noyaku Gakkaishi.  Journal of the Pesticide Science Society of
   Japan.  (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170,
   Japan)  V.1-    1976-  Volume(issue)/page/year: 15,297,1990

TYPE OF TEST

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 54 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NNGADV Nippon Noyaku Gakkaishi.  Journal of the Pesticide Science Society of
   Japan.  (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170,
   Japan)  V.1-    1976-

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 72 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NNGADV Nippon Noyaku Gakkaishi.  Journal of the Pesticide Science Society of
   Japan.  (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170,
   Japan)  V.1-    1976-  Volume(issue)/page/year: 15,297,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1820 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85DPAN "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel,"
   Perkow, W., Berlin, Verlag Paul Parey, 1971-1976  Volume(issue)/page/y

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 250 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
REFERENCE :
   NNGADV Nippon Noyaku Gakkaishi.  Journal of the Pesticide Science Society of
   Japan.  (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170,
   Japan)  V.1-    1976-  Volume(issue)/page/year: 15,297,1990

Restrict 危险品

其他信息

  • 蒸气压:21 mm Hg ( 20 °C)
  • Sigma Aldrich:556-61-6(sigmaaldrich)
  • 异硫氰酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0189 异硫氰酸甲酯 Methyl Isothiocyanate 25G 183元 2014/06/02 I0189 异硫氰酸甲酯 Methyl Isothiocyanate 500G 1120元 2010/06/21 414470250 异硫氰酸甲酯 Methyl isothiocyanate 97% 25 GR 459元
  • 不溶于水，水中溶解度:7.6 g/l；和甲醇、醚、苯和甲苯混溶；不溶于甘油、乙二醇和丙二醇。
  • TCI Shanghai:异硫氰酸甲酯 Methyl Isothiocyanate,>;98.0%(GC)(556-61-6)
  • 急性毒性:口服-大鼠 LD50: 72 毫克/公斤; 口服-小鼠 LD50: 90 毫克/公斤
  • 下游产品:N-甲硫脲 --> 甲巯咪唑
  • Alfa Aesar:异硫氰酸甲酯,98% Methyl isothiocyanate, 98%(556-61-6)
  • 上游原料:一甲胺 --> 二硫化碳 --> 氯甲酸乙酯 --> 异硫氰酸酯 --> 鲜红
  • 类别:易燃液体
  • MSDS 信息:异硫氰酸甲酯(556-61-6).msds
  • 方法一:以一甲胺、二硫化碳和氯甲酸乙酯为原料，经下述步骤制得。将二硫化碳和氢氧化钠溶液混合搅拌冷却到10-15℃，在0.5h内加入35%的甲胺水溶液。温热搅拌1-2h使反应完全，生成鲜红色溶液。将其冷至35-40℃，搅拌下滴加氯甲酸乙酯，加完后继续搅拌30min，温度降到30℃左右。将上层异硫氰酸酯分出，用无水硫酸钠干燥后进行分馏，收集115-121℃馏分即为成品。收率约70%。
  • 图谱信息:异硫氰酸甲酯(556-61-6)核磁图( 1 HNMR) 异硫氰酸甲酯(556-61-6)核磁图( 13 CNMR) 异硫氰酸甲酯(556-61-6)质谱(MS)
  • 刺激数据:皮肤-兔子 500 毫克/24小时 中度; 眼睛-兔子 100 毫克 重度
  • 用途一:用作农药杀虫剂（即敌线酯，或称氰土灵）、军用毒剂。
  • F:21
  • 外观性质:白色至淡橙色固体。
  • 毒性分级:高毒
  • MOL 文件:556-61-6.mol
  • 敏感性:Moisture Sensitive
  • 灭火剂:干粉, 二氧化碳; 1211; 泡沫
  • 可燃性危险特性:易燃; 受热分解有毒氰化物和硫化物
  • Acros Organics:异硫氰酸甲酯 Methyl isothiocyanate, 97%(556-61-6)
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运存放

系列性分类

  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
  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. Thiocyanates/Isothiocyanates - 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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl 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. Herbicides for Use in Environmental Chromatography Standards
  7. Others - Herbicides
  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. Thiocarbonyl Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Labeling Reagents for HPLC
  1. Functional Group 官能团索引
  2. isothiocyanate

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