4-브로모-2-클로로-6-메틸페놀

4-Bromo-6-chloro-o-cresol

HCID 82031CAS 7530-27-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(Br)cc(Cl)c1O
InChIKey: IDDUDPYBPXKGCP-UHFFFAOYSA-N
분자식: C7H6BrClO
평균 분자량: 221.48 g/mol
단동위원소 질량: 219.92906

이름 및 식별자

우선 이름: 4-Bromo-6-chloro-o-cresol
IUPAC: 4-bromo-2-chloro-6-methylphenol
현지명: 4-브로모-2-클로로-6-메틸페놀
영어명: 4-Bromo-2-chloro-6-methylphenol
분자식: C7H6BrClO
분자량: 221.48

이름 및 동의어

4-Bromo-2-chloro-6-methylphenol7530-27-04-Bromo-6-chloro-o-cresolo-Cresol, 4-bromo-6-chloro-Phenol, 4-bromo-2-chloro-6-methyl-4-bromo-6-chloro-2-methylphenol2-Chloro-4-bromo-6-methylphenolUNII-V1Q03LGP5KV1Q03LGP5KNSC-96968EINECS 231-394-4NSC 96968

이름 더 보기

4-브로모-2-클로로-6-메틸페놀5-Bromo-3-chloro-2-hydroxytoluene4-Bromo-2-chloro-6-methylphenol97%4-Bromo-2-chloro-6-methylphenol 97%5-Bromo-3-chloro-2-hydroxytoluene, 4-Bromo-6-chloro-o-cresol

DTXSID002262634-BROMO-6-CHLORO-2-CRESOLRefChem:98150DTXCID00148754231-394-4IDDUDPYBPXKGCP-UHFFFAOYSA-NInChI=1/C7H6BrClO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1HMFCD00002167

데이터베이스 식별자

CAS: 7530-27-0
PubChem CID: 82031
DTXSID: DTXSID00226263
UNII: V1Q03LGP5K
EC Number: 231-394-4
Nikkaji: J307.490K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 45 °C · 45 °C
끓는 점: 254 · 254.0±35.0 °C(Predicted)
밀도: 1.674 · 1.674±0.06 g/cm3(Predicted)
인화점: 110 °C · 110°C
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.28 · 8.28±0.23(Predicted)
InChI: InChI=1S/C7H6BrClO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey: IDDUDPYBPXKGCP-UHFFFAOYSA-N
SMILES: C1(O)=C(C)C=C(Br)C=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.