Methyl carbamate 氨基甲酸甲酯

CAS 598-55-0 MFCD00007964

化学结构图

598-55-0
SMILES: COC(N)=O

化学属性

Mol. FormulaC2H5NO2
Mol. Weight75.07
Density1.092
Flash Point>100°(212°F)
TSCAYes
Boiling Point176-177 °C at 760 mmHg
Melting Point56-58 °C
Solubility极易溶于水,也溶于乙醇、丙酮等有机溶剂。
Stability对湿度敏感
Appearance 白色结晶。 极易溶于水,也溶于乙醇、丙酮等有机溶剂。

别名和识别编码

Chemical NameMethyl carbamate
Synonym Methyl carbamate {LY} Methyl carbamate {} {LY} Methyl carbamate {} {} {LY} Methyl carbamate {} {} {} {LY} Methyl carbamate {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl carbamate {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00007964
CAS Number598-55-0
EC Number209-939-2
Beilstein Registry Number635779
Merck Number6036
PubChem Substance ID11722
Chemical Name Translation氨基甲酸甲酯
Reaxys-RN635779
Wiswesser Line NotationZVO1
LabNetwork Molecule IDLN00225995
InChIInChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
Canonical SMILESNC(OC)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Protected Amines
  • {uni_hamburg} no charge; carbamate; 1fragment

相关文献及参考

  • Short: IV/16
  • Merck:14,6036
  • Short: III/38B
  • Merck:14,6036 Beilstein: 3,IV,37
  • The Na derivative has been used as an ammonia equivalent in the Pd(0)-catalyzed amination of allylic acetates: Chem. Lett., 2123 (1989).
  • Short: II/2

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P405 Store locked up. 上锁保管。
  • P337+P313
  • P308+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • 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。
RTECSFC2450000
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive {} {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 statements
  • H351 Suspected of causing cancer 怀疑致癌
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H303 May be harmfully swallowed 吞食可能有害
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
Hazard Codes Xn
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 104 gm/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 83,258,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 102 gm/kg/2Y
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-328,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 45 mg/kg/14W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   9,177,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : 21 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   EESADV Ecotoxicology and Environmental Safety.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1977-  Volume(issue)/page/year:
   8,551,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4450 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   AJEBAK Australian Journal of Experimental Biology and Medical Science.
   (Adelaide, S.A., Australia) V.1-64, 1924-86.  Volume(issue)/page/year:
   45,507,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-328,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 50 gm/L/3H
REFERENCE :
   CRSUBM Cancer Research Supplement.  (Baltimore, MD)  No.1-4, 1953-56.
   Volume(issue)/page/year: 3,69,1955

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1 gm/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 320,189,1994

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 375 mg/kg
REFERENCE :
   ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie.  (Berlin,
   Fed. Rep. Ger.)  V.76-92, 1971-78.  For publisher information, see JCROD7.
   Volume(issue)/page/year: 76,69,1971

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 120 ug/L
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 67,1303,1981

其他信息

  • 氨基甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010337 氨基甲酸甲酯 100g 100元 2011/04/16 C1012 氨基甲酸甲酯 Methyl Carbamate 500G 545元 2011/04/16 C1012 氨基甲酸甲酯 Methyl Carbamate 25G 175元
  • MSDS 信息:Methyl carbamate(598-55-0).msds
  • Sigma Aldrich:598-55-0(sigmaaldrich)
  • 水中溶解度: 700 G/L(20°C) ,极溶于乙醇,溶于丙酮和乙醚。
  • Alfa Aesar:氨基甲酸甲酯,99% Methyl carbamate, 99%(598-55-0)
  • 海关编码:29241900
  • Acros Organics:氨基甲酸甲酯 Methyl carbamate, 99%(598-55-0)
  • TCI Shanghai:氨基甲酸甲酯 Methyl Carbamate,>;98.0%(GC)(598-55-0)
  • 下游产品:头孢尼西 --> 磺草灵 --> 戊-4-炔-2-基氨基甲酸甲酯 --> 格列美脲
  • 用途二:用于医药、农药等行业作有机合成中间体,用于芳香烃的选择性溶剂,熔融的本品也用作多种难溶有机物、树脂的溶剂。与甲醇作用合成碳酸二甲酯。
  • MOL 文件:598-55-0.mol
  • 方法一:由尿素甲醇反应而得。将甲醇加热至微沸,搅拌下分次加入尿素,加完后回流30h。回收过量的甲醇后,用石油醚煮沸萃取两次萃取液进行分馏,收集175-177℃馏分即为氨基甲酸甲酯。收率为75%。
  • 图谱信息:氨基甲酸甲酯(598-55-0)红外图谱(IR1) 氨基甲酸甲酯(598-55-0)核磁图( 1 HNMR) 氨基甲酸甲酯(598-55-0)Raman光谱 氨基甲酸甲酯(598-55-0)质谱(MS) 氨基甲酸甲酯(598-55-0)红外图谱(IR2) 氨基甲酸甲酯(598-55-0)核磁图( 13 CNMR)
  • 上游原料:氨 --> 尿素 --> 氯甲酸甲酯
  • 检测方法:GC,NMR
  • 敏感性:Moisture Sensitive
  • 用途一:用作医药、农药、有机合成中间体

系列性分类


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