CAS 945543-26-0 3-(Bromomethyl)-2,4-dichloropyridine (HCID 58951701)

基本情報

CAS: 945543-26-0
標準SMILES: Clc1ccnc(Cl)c1CBr
InChIKey: BBQJTYGPSAEPTK-UHFFFAOYSA-N
分子式: C6H4BrCl2N
平均分子量: 240.91 g/mol
単同位体質量: 238.89042

名称と識別子

優先名称: 3-(Bromomethyl)-2,4-dichloropyridine
IUPAC: 3-(bromomethyl)-2,4-dichloropyridine
現地名: 3-(ブロモメチル)-2,4-ジクロロピリジン
英語名: 3-(bromomethyl)-2,4-dichloropyridine
分子式: C6H4BrCl2N
分子量: 240.91

名称と別名

3-(bromomethyl)-2,4-dichloropyridine945543-26-0MFCD124056963-(broMoMethyl)-2Pyridine, 3-(bromomethyl)-2,4-dichloro-SCHEMBL844244WLZ5124BBQJTYGPSAEPTK-UHFFFAOYSA-NDTXSID9012903823-(bromomethyl)-2,4-dichloro-pyridineSY078494F857192

名称をさらに表示

3-(ブロモメチル)-2,4-ジクロロピリジン4-dichloropyridine

データベース識別子

CAS: 945543-26-0
PubChem CID: 58951701
DTXSID: DTXSID901290382
EC Number: 172-168-4

物性

構造計算による物性

XLogP: 3
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: 10
形式電荷: 0
複雑度: 112

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C6H4BrCl2N/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,3H2
InChIKey: BBQJTYGPSAEPTK-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(Cl)=C1CBr

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.