Bromo(4-fluorophenyl)acetic acid

HCID 16217752CAS 29270-33-5

기본 정보

표준 SMILES: O=C(O)C(Br)c1ccc(F)cc1
InChIKey: ATILMAUMZRFROS-UHFFFAOYSA-N
분자식: C8H6BrFO2
평균 분자량: 233.03 g/mol
단동위원소 질량: 231.95351975

이름 및 식별자

우선 이름: Bromo(4-fluorophenyl)acetic acid
IUPAC: 2-bromo-2-(4-fluorophenyl)acetic acid
영어명: alpha-Bromo-4-fluorophenylacetic acid 9
분자식: C8H6BrFO2
분자량: 233.03

이름 및 동의어

Bromo(4-fluorophenyl)acetic acidDTXSID60584533RefChem:1080177DTXCID7053529829270-33-52-bromo-2-(4-fluorophenyl)acetic acidalpha-Bromo-4-fluorophenylacetic acidMFCD08276759Benzeneacetic acid, alpha-bromo-4-fluoro-2-bromo-2-(4-fluorophenyl)aceticacidAKOS026732159alpha-Bromo-(4-fluorophenyl)acetic acid

이름 더 보기

α-bromo-4-fluorophenylacetic acidα-BroMo-4-fluorophenylacetic acidBenzeneacetic acid, α-bromo-4-fluoro-Benzeneacetic acid, a-bromo-4-fluoro-alpha-Bromo-4-fluorophenylacetic acid 9α-Bromo-4-fluorophenylacetic acid, CAS 29270-33-5ALPHA-BROMO-(4-FLUOROPHENYL) ACETIC ACID, METHYL ESTERALPHA-BROMO-4-FLUOROPHENYLACETIC ACID 9 ISO 9001：2015 REACH

Benzeneacetic acid, |A-bromo-4-fluoro-alpha-Bromo-4-fluorophenylacetic acid, 97%CS-0204625A-bromo-4-fluoro-alpha -Bromo-4-fluorophenylacetic acidSCHEMBL2119ATILMAUMZRFROS-UHFFFAOYSA-Na-Bromo-4-fluorobenzeneacetic acid

데이터베이스 식별자

CAS: 29270-33-5
PubChem CID: 16217752
DTXSID: DTXSID60584533
EC Number: 627-468-4

물성

구조 계산 물성

XLogP: 2.4
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: 166

물리화학적 성질

녹는점: 96 · 96-100 °C
끓는 점: 288.2 · 288.2±25.0 °C(Predicted)
밀도: 1.725 · 1.725±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.37 · 2.37±0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 갈색으로

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.