4-苯甲氧基苯甲腈

4-Benzyloxybenzonitrile

HCID 561371CAS 52805-36-4

子结构检索查找相似结构

基本信息

标准SMILES: N#Cc1ccc(OCc2ccccc2)cc1
InChIKey: UDAOJHAASAWVIQ-UHFFFAOYSA-N
分子式: C14H11NO
平均分子量: 209.24 g/mol

名称与标识

首选名称: 4-Benzyloxybenzonitrile
IUPAC: 4-phenylmethoxybenzonitrile
中文名: 4-苯甲氧基苯甲腈
英文名: 4-Benzyloxybenzonitrile
分子式: C14H11NO
分子量: 209.24

名称与别名

4-Benzyloxybenzonitrile52805-36-4RefChem:518536641-142-94-(benzyloxy)benzonitrile4-phenylmethoxybenzonitrileMFCD000797014-Benzyloxy-benzonitrile4-(phenylmethoxy)benzenecarbonitrileBenzonitrile, 4-(phenylmethoxy)-4-Cyanophenylbenzyl ether431946-37-1

展开更多名称

对苄氧基苯腈4-苄氧基氰苯4-苄氧基苯腈4-苄氧基苯甲腈4-苯甲氧基苯甲腈4-苄氧基苯甲腈*54-苯甲氧基苯甲腈,98%4-苯甲氧基苯甲腈 25G4-Benzyloxybenzonitrile>4-phenylmethoxybenzonitrile

4-benzyloxy benzonitrileMaybridge1_005982Oprea1_8475564-cyanophenoxy phenyl methaneSCHEMBL403151CHEMBL2204754BDBM86781HMS558H20

数据库标识

CAS: 52805-36-4
PubChem CID: 561371
ChEMBL: CHEMBL2204754
EC Number: 641-142-9
Nikkaji: J382.941C

性质

结构计算性质

XLogP: 3.5
极性表面积: 33 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 241

实验与物化性质

SpringerMaterials PropertiesChemical structure

物理化学性质

熔点: 94 °C · 94 °C
沸点: 173 · 173-175°C 0,1mm
密度: 1.14 · 1.14±0.1 g/cm3(Predicted)
闪点: 173 · 173-175°C/0.1mm
储存条件: Sealed in dry,Room Temperature
溶解度: almost transparency in hot Methanol
形态: powder to crystal
颜色: White to Almost white
BRN: 2372698 · 2372698
CAS 数据库: 52805 · 52805-36-4(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.