苄基苯基醚

Benzyl Phenyl Ether

HCID 70352CAS 31324-44-4

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基本信息

标准SMILES: c1ccc(COc2ccccc2)cc1
InChIKey: BOTNYLSAWDQNEX-UHFFFAOYSA-N
分子式: C13H12O
平均分子量: 184.23 g/mol
单同位素质量: 184.088815

名称与标识

首选名称: Benzyl Phenyl Ether
IUPAC: phenoxymethylbenzene
英文名: phenoxytoluene
分子式: C13H12O
分子量: 184.23378

名称与别名

Benzyl phenyl ether946-80-5BenzyloxybenzenePhenyl benzyl etherEther, benzyl phenylBenzene, (phenoxymethyl)-NSC 77971alpha-PhenylanisoleAnisole, alpha-phenyl-BUE863N0L8BENZYL PHENOLATENSC-77971

展开更多名称

phenoxytolueneMethylphenoxybenzene

DTXSID70870813RefChem:566843Ether, benzyl phenyl (8CI)Benzene, (phenoxymethyl)-(9CI)DTXCID20818503628-388-2(benzyloxy)benzenephenoxymethylbenzene

数据库标识

CAS: 31324-44-4、946-80-5
PubChem CID: 70352
DTXSID: DTXSID70870813
ChEMBL: CHEMBL1796019
UNII: BUE863N0L8
EC Number: 250-571-7、628-388-2
Nikkaji: J80.038D

性质

结构计算性质

XLogP: 3.8
极性表面积: 9.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 143

实验与物化性质

SpringerMaterials PropertiesBoiling point

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.