4-Bromo-1-hydroxynaphthalene-2-carboxylic acid

HCID 289393CAS 5813-37-6

基本情報

標準SMILES: O=C(O)c1cc(Br)c2ccccc2c1O
InChIKey: ORABWYPHDRBFAX-UHFFFAOYSA-N
分子式: C11H7BrO3
平均分子量: 267.07 g/mol
単同位体質量: 265.95785618

名称と識別子

優先名称: 4-Bromo-1-hydroxynaphthalene-2-carboxylic acid
IUPAC: 4-bromo-1-hydroxynaphthalene-2-carboxylic acid
英語名: NSC 151130
分子式: C11H7BrO3
分子量: 267.08

名称と別名

4-bromo-1-hydroxynaphthalene-2-carboxylic acidRefChem:518971831-437-24-bromo-1-hydroxy-2-naphthoic acid5813-37-6MFCD00021504NSC 1511304-bromo-1-hydroxy-naphthalene-2-carboxylic acid4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acidF0349-31431-hydroxy-4-bromo-2-naphthoic acidNSC151130

名称をさらに表示

4-Bromo-1-hydroxy-2-naphthalenecarboxylic acid4-Bromo-1-hydroxy-naphthalen-2-carboxylic acid2-Naphthalenecarboxylic acid, 4-bromo-1-hydroxy-

2-Naphthalenecarboxylicacid, 4-bromo-1-hydroxy-SCHEMBL485235IFLab1_001264DTXSID00302470ORABWYPHDRBFAX-UHFFFAOYSA-NHMS1415J10SMSSF-0047761FAA81337

データベース識別子

CAS: 5813-37-6
PubChem CID: 289393
DTXSID: DTXSID00302470
EC Number: 831-437-2

物性

構造計算による物性

XLogP: 3.6
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 256

物理化学的性質

融点: 245 · 245-246℃
比重(密度): 1.772 · 1.772

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+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.