2-(4-Chloro-3-fluorophenyl)acetic acid

HCID 3814954

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 883500-51-4
표준 SMILES: O=C(O)Cc1ccc(Cl)c(F)c1
InChIKey: QIYNMJFDEWFEKJ-UHFFFAOYSA-N
분자식: C8H6ClFO2
평균 분자량: 188.58 g/mol

이름 및 식별자

우선 이름: 2-(4-Chloro-3-fluorophenyl)acetic acid
IUPAC: 2-(4-chloro-3-fluorophenyl)acetic acid
영어명: 4-Chloro-3-fluorophenylacetic acid
분자식: C8H6ClFO2
분자량: 188.58

이름 및 동의어

883500-51-42-(4-chloro-3-fluorophenyl)acetic acidRefChem:457218684-269-54-Chloro-3-fluorophenylacetic acid4-Chloro-3-fluorophenylaceticacidMFCD04115861SCHEMBL1544044-Chloro-3-fluorophenyl acetic acid2-(4-chloro-3-fluoro-phenyl)acetic Acid(4-chloro-3-fluorophenylSCHEMBL30154466

이름 더 보기

Acid 3-fluoro-4-chloro4-Chloro-3-fluorphenylaceticacid3-fluoro-4-chlorophenylacetic acid2-(4-Chloro-3-fluorophenyl)acec Acid4-Chloro-3-fluorophenylaceticacid,97%Benzeneacetic acid, 4-chloro-3-fluoro-

3-Chloro-3-fluorphenylacetic acid4-Chloro-3-fluorobenzeneacetic acidBBL103398SBB064497STL557208AKOS0050640052-(4-chloro-3-fluorophenyl)aceticacidAC-9785

데이터베이스 식별자

CAS: 883500-51-4
PubChem CID: 3814954
EC Number: 684-269-5

물성

구조 계산 물성

XLogP: 2.1
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: 88 · 88-91℃
끓는 점: 293.1 · 293.1±25.0 °C(Predicted)
밀도: 1.417 · 1.417±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.97 · 3.97±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.