4-Bromo-3-fluorophenol

HCID 2779153CAS 121219-03-2

기본 정보

표준 SMILES: Oc1ccc(Br)c(F)c1
InChIKey: MRQYTJXVULSNIS-UHFFFAOYSA-N
분자식: C6H4BrFO
평균 분자량: 191 g/mol
단동위원소 질량: 189.94295507

이름 및 식별자

우선 이름: 4-Bromo-3-fluorophenol
IUPAC: 4-bromo-3-fluorophenol
영어명: 4-Bromo-3-fluorophenol
분자식: C6H4BrFO
분자량: 191

이름 및 동의어

4-Bromo-3-fluorophenol121219-03-2DTXSID10381296RefChem:290855DTXCID30332321673-636-53-Fluoro-4-bromophenol4-bromo-3-fluoro-phenolMFCD00051907Phenol, 4-bromo-3-fluoro-3-fluoro-4-bromo phenol4-bromo-3-fluoro phenol

이름 더 보기

4-Bromo-3-fluorophen4-Bromo-3-fluorophenol99%4-Bromo-3-fluorophenol >4-Bromo-3-fluorophenol 99%4-Bromo-3-fluorophenol ISO 9001：2015 REACH

SCHEMBL1773704-Bromo-3-fluorophenol, AldrichCPRCS-W008805PS-8364EN300-75451Z1154597041HYDROCODONEHYDROCHLORIDEBCP05735

데이터베이스 식별자

CAS: 121219-03-2
PubChem CID: 2779153
DTXSID: DTXSID10381296
EC Number: 673-636-5
Nikkaji: J1.905.134J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

녹는점: 71.5 °C · 71.5 °C
끓는 점: 75 °C/1mm · 75°C/1mm
밀도: 1.764 · 1.764±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 8.4 · 8.40±0.18(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C6H4BrFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey: MRQYTJXVULSNIS-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C(F)=C1

화학적 성질

White to pale yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (89.4%): 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 47 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 (89.4%)

안전 데이터

HS 번호: 29081990
risk_code: 20/21/22-36/37/38-41-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도3-Fluoro-4-bromophenol is a phenolic organic compound, which can be used as a fluorine-containing organic intermediate, and can be used for the synthesis of medicines, pesticides, dyes, etc.