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

HCID 289393CAS 5813-37-6

기본 정보

표준 SMILES: O=C(O)c1cc(Br)c2ccccc2c1O
InChIKey: ORABWYPHDRBFAX-UHFFFAOYSA-N
분자식: C11H7BrO3
평균 분자량: 267.07 g/mol
단동위원소 질량: 265.95785618

이름 및 식별자

우선 이름: 4-Bromo-1-hydroxynaphthalene-2-carboxylic acid
IUPAC: 4-bromo-1-hydroxynaphthalene-2-carboxylic acid
영어명: NSC 151130
분자식: C11H7BrO3
분자량: 267.08

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 256

물리화학적 성질

녹는점: 245 · 245-246℃
밀도: 1.772 · 1.772

안전 및 규제

GHS 분류

GHS Classification · 4건

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.