CAS 946122-05-0 (2-Amino-4-bromophenyl)methanol (HCID 53440895)

基本情報

CAS: 946122-05-0
標準SMILES: Nc1cc(Br)ccc1CO
InChIKey: JHLFDAZFHWATIS-UHFFFAOYSA-N
分子式: C7H8BrNO
平均分子量: 202.05 g/mol
単同位体質量: 200.97893

名称と識別子

優先名称: (2-Amino-4-bromophenyl)methanol
IUPAC: (2-amino-4-bromophenyl)methanol
現地名: (2-アミノ-4-ブロモフェニル)メタノール
英語名: 2-Amino-4-bromobenzyl alcohol
分子式: C7H8BrNO
分子量: 202.05

名称と別名

(2-Amino-4-bromophenyl)methanol946122-05-0DTXSID80702898RefChem:205733DTXCID50653646867-576-02-AMINO-4-BROMOBENZYL ALCOHOLMFCD07779492Benzenemethanol, 2-amino-4-bromo-(2-Amino-4-bromo-phenyl)-methanolSCHEMBL754025CHEMBL5013328

名称をさらに表示

(2-アミノ-4-ブロモフェニル)メタノールAmbroxol Impurity 522-Amino-4-bromobenzenemethanol

JHLFDAZFHWATIS-UHFFFAOYSA-N(2-amino-4-bromo-phenyl)methanol(2-amino-4-bromophenyl)-methanolCL9324AKOS017559514AB42495CS-W007151AC-29831

データベース識別子

CAS: 946122-05-0
PubChem CID: 53440895
DTXSID: DTXSID80702898
ChEMBL: CHEMBL5013328
EC Number: 867-576-0

物性

構造計算による物性

XLogP: 1.6
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

沸点: 347.8 · 347.8±27.0 °C(Predicted)
比重(密度): 1.66 · 1.660±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 14.01 · 14.01±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.