METHYL ISOCYANATE 异氰酸甲酯

CAS 624-83-9 MFCD00002038

化学结构图

624-83-9
SMILES: CN=C=O

化学属性

Mol. FormulaC2H3NO
Mol. Weight57.06
Flash Point-7 °C
Melting Point-45℃
Boiling Point39.5°
Refractive index1.3419
Solubility溶于水。
Density0.9230

别名和识别编码

Chemical NameMETHYL ISOCYANATE
CAS Number624-83-9
Alfabeta NameMETHYLIMINOOXOMETHANE (())
MDL NumberMFCD00002038
Synonym iso-Cyanicacidmethylester Methyl carbonimide Methyl isocyanat isocyanato-methane RCRA waste number P064 isocyanato-methan Isocyansäuremethylester Iso-cyanatomethane methyl isocyanate Methylisocyanat isocyanatedemethyle Metil isocianato methane,isocyanato- (Methylimino)(oxo)methane 异氰酸甲酯 Isocyanatomethane MIC Methylisocyanaat Methylisokyanat methylcarbylamine isocyanicacid,methylester Isocyanate de methyle methylisocyanat CH3NCO 甲基碳酰亚胺 Methylcaboninide Methane, isocyanato- isocyanatedemethyle(french) iso-cyanatomethane methylcarboxylamine TL 1450 Isocyanic acid, methyl ester Methyl isocyanate Methylisocyanate
EC Number210-866-3
Chemical Name Translation异氰酸甲酯
Merck Number13,6112
Wiswesser Line NotationOCN1
Beilstein Registry Number0605318
PubChem Substance ID12228
InChIInChI=1S/C2H3NO/c1-3-2-4/h1H3
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分类

  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 氨基甲酸酯类杀虫剂
  • {uni_hamburg} no charge; isocyanate; 1fragment

相关文献及参考

  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
  • Short: II/19c Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19c Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54893-9 ISBN: 978-3-540-54893-5 Internet Resource: DOI:10.1007/b44435 RefComment: 8 figs., XI, 295 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplem

安全信息

Warnings TOXIC BY INHALATION, LACHRYMATOR, FLAMMABLE 危化品目录(2015) 危险化学品
UN Number 2480
Hazard Codes F+,T+
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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）；
  • 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；
  • S63
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S27/28
Risk Statements
  • R26 Very toxic by inhalation 吸入极毒
  • R12 Extremely flammable 极端易燃
  • R42/43
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
Restrict 剧毒 {} 剧毒化学品
RTECSNQ9450000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 261 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 25,531,1987

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6100 ppb/6H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   6,747,1986

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 :
   YKYUA6 Yakkyoku.  Pharmacy.  (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo,
   Japan)  V.1-    1950-  Volume(issue)/page/year: 38,391,1987

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 5400 ppb/6H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Pre

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 3 ppm/6H/4D (Continuous)
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9,37,1987

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 3 ppm/6H/4D (Continuous)
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9,29,1987

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 10100 ug/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9,19,1987

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 6 ppm/6H/4D (Continuous)
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9,37,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 204,123,1988

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 900 ug/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 9 ppm/3H
SEX/DURATION            : female 1 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Paternal Effects - other effects on male
   Reproductive - Fertility - mating performance (e.g. # sperm positive females
   per # females mated; # copulations per # estrus cycles)
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 21,265,1987

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 3 ppm/6H
SEX/DURATION            : female 14-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 72,149,1987

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 9 ppm/3H
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., N

其他信息

  • 用途:有机合成中间体。在高分子工业中，用以合成聚异氰酸酯、聚氨酯类、聚脲树脂和高聚胶粘剂等。在农药工业中，用以合成西维因、涕灭威、呋喃丹等杀虫剂和杀草丹、燕麦敌等除草剂。在分析化学中用以鉴定醇类和胺类化合物。本品还可用来改进塑料、织物、皮革的防水性。
  • 毒害物质数据:624-83-9(Hazardous Substances Data)
  • 外观性质:带有强烈气味的无色液体，有催泪性。
  • PackingGroup:I
  • NIST化学物质信息:Methane, isocyanato-(624-83-9)
  • HazardClass:6.1(a)
  • 生产方法:异氰酸甲酯的合成方法分光气路线和非光气路线两种。 光气路线为一甲胺与光气以等摩尔进行高温气相反应，生成异氰酸甲酯。反应方程式如：COCl 2 +CH 3 NH 2 →CH 3 NCO 一甲胺经蒸发器蒸发气化，与光气按比例配合，分别预热后进入反应器，在高温和压力下生成异氰酸甲酯。整个工艺过程包括异氰酸甲酯的合成和光气回收、异氰酸甲酯的分离和精制、尾气氯化氢和残液的处理。 一甲胺与光气在控制的工艺条件下可制得甲氨基甲酰氯，将其用邻二氯苯淬冷，在130℃脱去氯化氢，得到异氰酸甲酯一邻二氯苯溶液，经蒸馏而得成品。 非光气路线可用硫酸二甲酯与氰酸钾(钠)作用，得到异氰酸甲酯。反应方程式见：(CH 3 ) 2 SO 4 +KOCN[CaO]→[CaCl 2 ]CH 3 NCO 该方法适用于小批量生产。将含量为99％的氰酸钾、氧化钙和氯化钙一起磨碎，加入装有邻二氯苯的反应器内，共沸脱除微量水分。温度控制在172～177℃，物料呈沸腾状态，在强烈搅拌下，缓缓加入无水硫酸二甲酯，生成的异氰酸甲酯即被连续蒸出，收集沸点为40～60℃馏分即为成品，收率为89％。以氰酸钠代替氰酸钾时，收率为87％。 非光气路线还可采用碳酸二苯酯与甲胺反应生成甲氨基甲酸苯酯，再裂解得到异氰酸甲酯和苯酚。 该法生产的异氰酸甲酯质量好，收率高，并可回收苯酚。其缺点是成本较高，设备投资大。 杜邦公司提出的非光气路线是在多段隔热反应器中，以空气来氧化N-甲基甲酰胺的方法。N-甲基甲酰胺的转化率为90％，异氰酸甲酯的收率为86％。反应方程式如：2HCONHCH 3 +O 2 [550～565℃]→2CH 3 NCO+2 2 O
  • RTECS号:NQ9450000
  • 稳定性:Stable, but highly reactive. Highly flammable. Readily forms explosive mixtures with air. Note low boiling point, low flash point.
  • MOL 文件:624-83-9.mol

系列性分类

  1. Functional Group 官能团索引
  2. isocyanate

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