2-Bromo-5-(trifluoromethyl)benzyl alcohol

HCID 2756248CAS 869725-53-1

기본 정보

표준 SMILES: OCc1cc(C(F)(F)F)ccc1Br
InChIKey: RXASTJJSPATSHH-UHFFFAOYSA-N
분자식: C8H6BrF3O
평균 분자량: 255.03 g/mol
단동위원소 질량: 253.95541157

이름 및 식별자

우선 이름: 2-Bromo-5-(trifluoromethyl)benzyl alcohol
IUPAC: [2-bromo-5-(trifluoromethyl)phenyl]methanol
영어명: 2-Bromo-5-(trifluoromethyl)benzyl alcohol
분자식: C8H6BrF3O
분자량: 255.03

이름 및 동의어

2-Bromo-5-(trifluoromethyl)benzyl alcoholRefChem:466752800-088-8869725-53-1(2-bromo-5-(trifluoromethyl)phenyl)methanol[2-bromo-5-(trifluoromethyl)phenyl]methanol2-Bromo-5-(trifluoromethyl)benzylalcoholMFCD04973761[2-bromo-5-(trifluoromethyl)phenyl]methan-1-ol4-Bromo-3-(hydroxymethyl)benzotrifluorideSCHEMBL142651BENZENEMETHANOL, 2-BROMO-5-(TRIFLUOROMETHYL)-

이름 더 보기

4-Bromo-3-(hydroxymethyl)benzotrifluoride, [2-Bromo-5-(trifluoromethyl)phenyl]methanol

SCHEMBL46809522-Bromo-5-(trifluoromethyl)benSCHEMBL16957940SCHEMBL30377054DTXSID301007226CL8693SBB064498AKOS005063705

데이터베이스 식별자

CAS: 869725-53-1
PubChem CID: 2756248
DTXSID: DTXSID301007226
EC Number: 800-088-8

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 69 · 69-71°C
끓는 점: 262.6 · 262.6±35.0 °C(Predicted)
밀도: 1.667 · 1.667±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 니들 크리스탈
산도 계수 (pKa): 13.76 · 13.76±0.10(Predicted)
색상: Faint lemon

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.