CAS 177985-32-9 2-(2-Chloro-4-fluorophenyl)acetic acid (HCID 2725061)

기본 정보

CAS: 177985-32-9
표준 SMILES: O=C(O)Cc1ccc(F)cc1Cl
InChIKey: CDUSPKFHAVQVRQ-UHFFFAOYSA-N
분자식: C8H6ClFO2
평균 분자량: 188.58 g/mol
단동위원소 질량: 188.0040353

이름 및 식별자

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

이름 및 동의어

2-(2-chloro-4-fluorophenyl)acetic acid2-Chloro-4-fluorobenzeneacetic acidRefChem:453546642-574-02-Chloro-4-fluorophenylacetic acid177985-32-9(2-chloro-4-fluorophenyl)acetic acidBenzeneacetic acid, 2-chloro-4-fluoro-MFCD00236028CL8960STK894623AC-26166

이름 더 보기

TIMTEC-BB SBB003675RARECHEM AL BO 0843LABOTEST-BB LT004411502-Chloro-4-fluorophenylaceticacid97%2-Chloro-4-fluorophenylacetic acid,99%2-Chloro-4-fluorophenylacetic acid 97%2-(2-CHLORO-4-FLUORO-PHENYL)ACETIC ACID

SY014032TS-02659CS-0020087EN300-112008AB01330563-02Z285184620FT-0611772A22040

데이터베이스 식별자

CAS: 177985-32-9
PubChem CID: 2725061
DTXSID: DTXSID90369350
EC Number: 642-574-0

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: 174

물리화학적 성질

녹는점: 101 · 101-104 °C
끓는 점: 292.8 · 292.8±25.0 °C(Predicted)
밀도: 1.3379 · 1.3379 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.02 · 4.02±0.10(Predicted)
수용성: 물에 약간 용해됩니다.

화학적 성질

WHITE TO OFF-WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.