(4-Bromo-2-fluorophenyl)methanol

HCID 2734027

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 188582-62-9
표준 SMILES: OCc1ccc(Br)cc1F
InChIKey: BWBJZMQPVBWEJU-UHFFFAOYSA-N
분자식: C7H6BrFO
평균 분자량: 205.02 g/mol
단동위원소 질량: 203.95860513

이름 및 식별자

우선 이름: (4-Bromo-2-fluorophenyl)methanol
IUPAC: (4-bromo-2-fluorophenyl)methanol
영어명: 4-Bromo-2-fluorobenzyl alcohol
분자식: C7H6BrFO
분자량: 205.02

이름 및 동의어

(4-bromo-2-fluorophenyl)methanolRefChem:402490672-500-24-Bromo-2-fluorobenzyl alcohol188582-62-9Benzenemethanol, 4-bromo-2-fluoro-MFCD001432654-bromo-2-fluorobenzylalcohol(4-bromo-2-fluorophenyl)methan-1-ol(4-Bromo-2-fluoro-phenyl)methanolSCHEMBL507839SCHEMBL2094594

이름 더 보기

RARECHEM AL BD 0386TIMTEC-BB SBB0058264-BROMO-2-FLUOROBENZYL ALCOHOL 98%4-Bromo-2-fluorobenzyl alcohol,98%2-Fluoride-4-Bromine Benzyl Alcohol3-Fluoro-4-hydroxymethylbromobenzene4-BroMo-2-fluorobenzyl alcohol, 98% 5GR

4-bromo-2-fluoro-benzyl alcoholDTXSID50370088BWBJZMQPVBWEJU-UHFFFAOYSA-N(4-bromo-2-fluoro-phenyl)-methanolSBB005826AKOS0052542914-Bromo-2-fluorobenzyl alcohol, 97%FB67929

데이터베이스 식별자

CAS: 188582-62-9
PubChem CID: 2734027
DTXSID: DTXSID50370088
EC Number: 672-500-2
Nikkaji: J813.213E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 30 · 30-35 °C
끓는 점: 262 ℃ · 262℃
밀도: 1.658 · 1.658
굴절률: 1.545 · 1.5450 (estimate)
인화점: 113 ℃ · 113℃
저장 조건: Store at room temperature
물리적 상태: 가루
산도 계수 (pKa): 13.68 · 13.68±0.10(Predicted)
색상: Off-white to pale yellow/brown
BRN: 7757667 · 7757667
InChI: InChI=1S/C7H6BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey: BWBJZMQPVBWEJU-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(Br)C=C1F

화학적 성질

white to light yellow crystalline powder or chunks

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.