3-Bromo-4-fluorophenylacetic Acid

HCID 3416339CAS 194019-11-9

기본 정보

표준 SMILES: O=C(O)Cc1ccc(F)c(Br)c1
InChIKey: XXFGIJYSXNXNAU-UHFFFAOYSA-N
분자식: C8H6BrFO2
평균 분자량: 233.03 g/mol
단동위원소 질량: 231.95351975

이름 및 식별자

우선 이름: 3-Bromo-4-fluorophenylacetic Acid
IUPAC: 2-(3-bromo-4-fluorophenyl)acetic acid
영어명: 3-Bromo-4-fluorophenylacetic acid
분자식: C8H6BrFO2
분자량: 233.03

이름 및 동의어

3-Bromo-4-fluorophenylacetic Acid194019-11-9DTXSID80392293RefChem:277450DTXCID30343154678-221-22-(3-bromo-4-fluorophenyl)acetic acidMFCD04038373AKOS000152905CS-W007630AC-4184PS-7691

이름 더 보기

3-Bromo-4-fluorophenylacetic Acid >3-BROMO-4-FLUOROPHENYLACETIC ACID(RS20013039)3-BROMO-4-FLUOROPHENYLACETIC ACID ISO 9001：2015 REACH

(3-Bromo-4-fluoro-phenyl)-acetic acidSY018603B2976(3-bromo-4-fluorophenyl)acetic acid3-Bromo-4-fluorophenylaceticacidBenzeneacetic acid, 3-bromo-4-fluoro-2-(3-bromo-4-fluoro-phenyl)acetic AcidA21792

데이터베이스 식별자

CAS: 194019-11-9
PubChem CID: 3416339
DTXSID: DTXSID80392293
EC Number: 678-221-2
Nikkaji: J2.650.127J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 67 °C · 67 °C
끓는 점: 326.8 · 326.8±27.0 °C(Predicted)
밀도: 1.697 · 1.697±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.09 · 4.09±0.10(Predicted)
색상: White to Orange to Green
수용성: 물에 약간 용해됩니다.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

안전 데이터

HS 번호: 2918290090
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도3-Bromo-4-fluorophenylacetic Acid is used as a reagent in the preparation of 4-oxo-1,4-dihydripyridine-3-carboxamide derivatives as inhibitors of Axl tyrosine kinase and anticancer agents.