CAS 63763-79-1 2-(Bromomethyl)-6-chloro-pyridine (HCID 22032737)

基本情報

CAS: 63763-79-1
標準SMILES: Clc1cccc(CBr)n1
InChIKey: GAAAMBFVILNOPY-UHFFFAOYSA-N
分子式: C6H5BrClN
平均分子量: 206.47 g/mol
単同位体質量: 204.92938894

名称と識別子

優先名称: 2-(Bromomethyl)-6-chloro-pyridine
IUPAC: 2-(bromomethyl)-6-chloropyridine
英語名: Pyridine, 2-(bromomethyl)-6-chloro-
分子式: C6H5BrClN
分子量: 206.47

名称と別名

2-(Bromomethyl)-6-chloro-pyridineRefChem:460023846-352-62-(Bromomethyl)-6-chloropyridine63763-79-1Pyridine, 2-(bromomethyl)-6-chloro-6-chloro-2-bromomethylpyridine2-chloro-6-(bromomethyl)pyridineMFCD07778340SCHEMBL5075192-Bromomethyl-6-chloropyridine2-chloro-6-bromomethyl-pyridine

名称をさらに表示

SCHEMBL30529343DTXSID50980282GAAAMBFVILNOPY-UHFFFAOYSA-NNCA76379AKOS028114345AS-60799DB-303175EN300-227546

データベース識別子

CAS: 63763-79-1
PubChem CID: 22032737
DTXSID: DTXSID50980282
EC Number: 846-352-6

物性

構造計算による物性

XLogP: 2.4
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 89.1

物理化学的性質

沸点: 241.1 · 241.1±25.0 °C(Predicted)
比重(密度): 1.663 · 1.663±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): -1.24 · -1.24±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.