环丙乙腈

Cyclopropylacetonitrile

HCID 643447CAS 6542-60-5

子结构检索查找相似结构

基本信息

标准SMILES: N#CCC1CC1
InChIKey: FAUQRRGKJKMEIW-UHFFFAOYSA-N
分子式: C5H7N
平均分子量: 81.12 g/mol
单同位素质量: 81.05784922

名称与标识

首选名称: Cyclopropylacetonitrile
IUPAC: 2-cyclopropylacetonitrile
中文名: 环丙乙腈
英文名: Cyclopropylacetonitrile
分子式: C5H7N
分子量: 81.12

名称与别名

cyclopropylacetonitrile6542-60-5cyclopropaneacetonitrileDTXSID20349180RefChem:129952DTXCID80300252FAUQRRGKJKMEIW-UHFFFAOYSA-NInChI=1/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2-cyclopropylacetonitrile2-cyclopropylethanenitrileMFCD00041523cyclopropyl acetonitrile

展开更多名称

环丙乙腈环丙基乙腈2-环丙基乙腈环丙基乙腈,97%Monoclonal Antibody to DFFB抗体(别名:CADMouse Monoclonal Antibody to DFFB抗体(别名:CADDFF2CPANDFF40DFF-40)CyclopropylacetonitrilCyclopropylacetonitrile (CPA)

(cyanomethyl)cyclopropaneAKOS005207232EN300-76167AS06097AM20100595FT-0636177FT-06863932-Cyclopropylacetonitrile;

数据库标识

CAS: 6542-60-5
PubChem CID: 643447
DTXSID: DTXSID20349180
EC Number: 628-930-8
Nikkaji: J609.638G

性质

结构计算性质

XLogP: 1
极性表面积: 23.8 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 6
形式电荷: 0
复杂度: 83.4

实验与物化性质

SpringerMaterials PropertiesCoriolis coupling

物理化学性质

沸点: 142 · 142-144 °C(lit.)
密度: 0.878 g/mL · 0.878 g/mL at 25 °C(lit.)
折射率: 20 · n20/D 1.4235(lit.)
闪点: 111 °F · 111 °F
储存条件: 2 · 2-8°C
形态: Liquid
颜色: Clear colorless to pale yellow
水溶解性: Miscible with water, methylene chloride and alcohols.
BRN: 2036964 · 2036964
InChI: InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2
InChIKey: FAUQRRGKJKMEIW-UHFFFAOYSA-N
SMILES: C1(CC#N)CC1
CAS 数据库: 6542 · 6542-60-5(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P262, P264, P270, P280, P302+P352, P303+P361+P353, P316, P318, P321, P361+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.