3-Aminopropionitrile 3-氨基丙腈

CAS 151-18-8 MFCD00014820

化学结构图

151-18-8
SMILES: N#CCCN

化学属性

Mol. FormulaC3H6N2
Mol. Weight70.09
Density0.9584
Refractive index1.4360 to 1.4400
TSCAYes
Boiling Point185 °C at 760 mmHg
Flash Point79-81°C/16mm
Solubility, , , , , Soluble in water.
Stability对热、空气、湿度敏感
Melting Point<25 °C

别名和识别编码

Chemical Name3-Aminopropionitrile
MDL NumberMFCD00014820
EC Number205-786-0
CAS Number151-18-8
Beilstein Registry Number4(4)2530
Reaxys-RN1698848
Merck Number469
PubChem Substance ID1647
Synonym β-Aminopropionitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-氨基丙腈
Wiswesser Line NotationZ2CN
LabNetwork Molecule IDLN00008158
InChIInChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
Canonical SMILESN#CCCN
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分类

  • {SNA} Amines, Building Blocks, C1 to C5, C2 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • Amines, Building Blocks, C1 to C5, C2 to C5, Chemical Synthesis, Cyanides/Nitriles, New Products for Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment

产品应用

  • 作有机合成、医药中间体。

相关文献及参考

  • Short: II/25C
  • Short: II/19b
  • Merck:14,469
  • Merck:14,469 Beilstein:4(4)2530

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • 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
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P304+P340
  • P301+P312
  • 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。
  • P302+P352
  • 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。
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P303+P361+P353
  • P308+P313
  • P304+P340+P310
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
  • H361d Suspected of damaging the unborn child 怀疑对未出生婴儿造成伤害
  • H227 Combustible liquid 可燃液体
RTECSUG0350000
Signal word Danger
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;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
UN Number 3276 UN3276 2922
Storage condition -20°C, protect from light, stored under nitrogen {LY} -20°C, protect from light, stored under nitrogen 0-10 0-10°C 2-8°C, protect from light 2-8°C, protect from light, stored under nitrogen Air & Moisture Sensitive Hygroscopic Refrigerator {} {LY} -20°C, protect from light, stored under nitrogen {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, sto
Packing GroupII
Hazard Codes C Xn
Hazard Class8/6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1152 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EXMPA6 Experimental and Molecular Pathology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1962-  Volume(issue)/page/year:
   39,154,1983

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12800 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   EXMPA6 Experimental and Molecular Pathology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1962-  Volume(issue)/page/year:
   39,154,1983

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - mouse Embryo
DOSE/DURATION           : 1250 mg/kg
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   47,305,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5 gm/kg
SEX/DURATION            : female 14-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) 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: 4,227,1971

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE                    : 1250 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal 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: 26,59,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1250 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - cytological changes (including
   somatic cell genetic material)
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   47,305,1981

其他信息

  • MSDS 信息:3-氨基丙腈(151-18-8).msds
  • 毒性分级:中毒
  • 灭火剂:干粉、泡沫、砂土, 二氧化碳, 雾状水
  • 用途二:作有机合成、医药中间体。
  • TCI Shanghai:3-氨基丙腈(含稳定剂碳酸钾) 3-Aminopropionitrile (stabilized with K2CO3),>;98.0%(GC)(T)(151-18-8)
  • 类别:易燃液体
  • 爆炸物危险特性:易氧化且不稳定; 储藏时它可聚合为可爆的黄色固体
  • Sigma Aldrich:151-18-8(sigmaaldrich)
  • 急性毒性:腹腔-小鼠LD50: 1152 毫克/公斤
  • 外观性质:具有氨样气味的液体。
  • 储运特性:库房通风低温干燥
  • 可燃性危险特性:易燃;遇热产生有毒氮氧化物和氰化物烟雾
  • 方法一:由丙烯腈经胺化而得。将干燥的高压釜冷至35℃以下,依次加入丙烯腈、二苯胺、叔丁醇,搅拌5min,加入液氨,温度控制在100-109℃,压力在1MPa左右,保温搅拌4h。冷至10℃以下,压力降至常压时停止搅拌。于65-70℃(14.7-21.3kPa)减压回收叔丁醇,得粗品3-氨基丙腈,粗品再减压蒸馏,收集66-105℃(1.33-4.0kPa)馏分,得3-氨基丙腈。
  • 下游产品:beta-氨基丙酸 --> 盐酸阿夫唑嗪 --> 1,2-二甲基-1,4,5,6-四氢嘧啶
  • Alfa Aesar:3-氨基丙腈,98%,stab.withpotassiumcarbonate 3-Aminopropionitrile, 98%, stab. with potassium carbonate(151-18-8)
  • MOL 文件:151-18-8.mol
  • Acros Organics:3-氨基丙腈 3-Aminopropionitrile, stabilized, 98%(151-18-8)
  • 3-氨基丙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 A0408 3-氨基丙腈(含稳定剂碳酸钾) 3-Aminopropionitrile (stabilized with K2CO3) 25ML 663元 2010/06/21 351750010 3-氨基丙腈 3-Aminopropionitrile 98%, stabilized 1 GR 426元 2010/06/21 351750050 3-氨基丙腈 3-Aminopropionitrile 98%, stabilized 5 GR 1212元
  • 3-氨基丙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0408 3-氨基丙腈(含稳定剂碳酸钾) 3-Aminopropionitrile (stabilized with K2CO3) 25ML 803元 2010/06/21 351750010 3-氨基丙腈 3-Aminopropionitrile 98%, stabilized 1 GR 426元 2010/06/21 351750050 3-氨基丙腈 3-Aminopropionitrile 98%, stabilized 5 GR 1212元
  • 上游原料:氢氧化铵 --> 氨 --> 叔丁醇 --> 丙烯腈 --> 二苯胺
  • 图谱信息:3-氨基丙腈(151-18-8)红外图谱(IR1) 3-氨基丙腈(151-18-8)核磁图( 1 HNMR) 3-氨基丙腈(151-18-8)质谱(MS) 3-氨基丙腈(151-18-8)红外图谱(IR3) 3-氨基丙腈(151-18-8)核磁图( 13 CNMR) 3-氨基丙腈(151-18-8)红外图谱(IR2)
  • 用途一:用作有机合成、医药中间体。

系列性分类


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