2-Bromo-4-chlorophenol

HCID 69670CAS 695-96-5

기본 정보

표준 SMILES: Oc1ccc(Cl)cc1Br
InChIKey: ZIYRDJLAJYTELF-UHFFFAOYSA-N
분자식: C6H4BrClO
평균 분자량: 207.45 g/mol
단동위원소 질량: 205.91340453

이름 및 식별자

우선 이름: 2-Bromo-4-chlorophenol
IUPAC: 2-bromo-4-chlorophenol
영어명: 2-Bromo-4-chlorophenol
분자식: C6H4BrClO
분자량: 207.45

이름 및 동의어

2-Bromo-4-chlorophenol695-96-5Phenol, 2-bromo-4-chloro-EINECS 211-785-6NSC 59695DTXSID20219733RefChem:85714DTXCID70142224Phenol, 2-bromo-4-chloro-(8CI)Phenol, 2-bromo-4-chloro-(8CI)(9CI)211-785-6InChI=1/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9

이름 더 보기

O-broMo-chloro-phenol2-Bromo-4-chlorophenol 98%2-Bromo-4-chlorophenol >2-Bromo-4-chlorophenol, 98+%2-Bromo-4-chlorophenol, 99+%2-BroMo-4-chlorophenol, 99+% 25GR2-Bromo-4-chlorophenol,695-96-5,OLED Intermediates,organic synthetic intermediate

ZIYRDJLAJYTELF-UHFFFAOYSA-N4-Chloro-2-bromophenol2-bromo-4-chloro-phenolMFCD00002319NSC-59695Phenol, 2-bromo-4-chloro-; 2-Bromo-4-chlorophenol; NSC 59695NSC596952-bromo-4-chorophenol

데이터베이스 식별자

CAS: 695-96-5
PubChem CID: 69670
DTXSID: DTXSID20219733
UNII: BCR4U2R8JW
EC Number: 211-785-6
Nikkaji: J101.731D

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

녹는점: 31 · 31-33 °C (lit.)
끓는 점: 121 · 121-123 °C/10 mmHg (lit.)
밀도: 1.6027 · 1.6027 (rough estimate)
굴절률: 1.573 · 1.5730 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
산도 계수 (pKa): 7.98 · 7.98±0.18(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorles to Yellow to Orange
BRN: 2042871 · 2042871
InChI: InChI=1S/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey: ZIYRDJLAJYTELF-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Cl)C=C1Br
NIST: 2 · Phenol, 2-bromo-4-chloro-(695-96-5)

화학적 성질

White to slightly beige low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (10.9%)

안전 데이터

wgk: 3
ridadr: UN 2020 6.1/PG 3
HS 번호: 29081000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-28-36/39-24/25
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects