5-플루오로-2-(트리플루오로메틸)페닐아세트산

5-Fluoro-2-(Trifluoromethyl)Phenylacetic Acid

HCID 2737594

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 239135-52-5
표준 SMILES: O=C(O)Cc1cc(F)ccc1C(F)(F)F
InChIKey: GWWZRGDMAFXULO-UHFFFAOYSA-N
분자식: C9H6F4O2
평균 분자량: 222.14 g/mol
단동위원소 질량: 222.03039231

이름 및 식별자

우선 이름: 5-Fluoro-2-(Trifluoromethyl)Phenylacetic Acid
IUPAC: 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetic acid
현지명: 5-플루오로-2-(트리플루오로메틸)페닐아세트산
영어명: 5-Fluoro-2-(trifluoromethyl)phenylacetic acid
분자식: C9H6F4O2
분자량: 222.14

이름 및 동의어

5-Fluoro-2-(Trifluoromethyl)Phenylacetic Acid239135-52-5DTXSID30372166RefChem:303135DTXCID903231992-[5-fluoro-2-(trifluoromethyl)phenyl]acetic AcidMFCD002363042-(5-fluoro-2-(trifluoromethyl)phenyl)acetic acid[5-fluoro-2-(trifluoromethyl)phenyl]acetic acid5-FLUORO-2-TRIFLUOROMETHYLPHENYLACETIC ACIDBenzeneacetic acid, 5-fluoro-2-(trifluoromethyl)-SCHEMBL154096

이름 더 보기

5-플루오로-2-(트리플루오로메틸)페닐아세트산2-(Carboxymethyl)-4-fluorobenzotrifluoride

CL8801SBB096267AKOS005259843CS-W014723DS-1787SY019185EN300-1929012F007940

데이터베이스 식별자

CAS: 239135-52-5
PubChem CID: 2737594
DTXSID: DTXSID30372166
EC Number: 671-902-5

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

물리화학적 성질

끓는 점: 241.4 · 241.4±35.0℃ (760 Torr)
밀도: 1.436 · 1.436±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 99.8 · 99.8±25.9℃
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.88 · 3.88±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.