2-[4-Fluoro-2-(trifluoromethyl)phenyl]acetic acid

HCID 2737592

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 195447-80-4
표준 SMILES: O=C(O)Cc1ccc(F)cc1C(F)(F)F
InChIKey: BMUFUJMVNODTAD-UHFFFAOYSA-N
분자식: C9H6F4O2
평균 분자량: 222.14 g/mol
단동위원소 질량: 222.03039231

이름 및 식별자

우선 이름: 2-[4-Fluoro-2-(trifluoromethyl)phenyl]acetic acid
IUPAC: 2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid
영어명: 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLACETIC ACID
분자식: C9H6F4O2
분자량: 222.14

이름 및 동의어

2-(4-Fluoro-2-(trifluoromethyl)phenyl)acetic acid2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic Acid4-Fluoro-2-(trifluoromethyl)benzeneacetic acidRefChem:457623671-114-1195447-80-44-Fluoro-2-(trifluoromethyl)phenylacetic acidMFCD00061189[4-fluoro-2-(trifluoromethyl)phenyl]acetic acidBenzeneacetic acid, 4-fluoro-2-(trifluoromethyl)-2-(4-Fluoro-2-(trifluoromethyl)phenyl)aceticacidSCHEMBL892786

이름 더 보기

RARECHEM AL BO 0505complement component 92-(4-Fluoro-2-(trifluoromethyl)4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLACETIC ACID(2-Trifluoromethyl-4-fluorophenyl)acetic acid4-Fluoro-2-(trifluoromethyl)phenylaceticacid98%4-Fluoro-2-(trifluoromethyl)phenylacetic acid 98%2-(Carboxymethyl)-5-fluorobenzotrifluoride, 2-(Carboxymethyl)-alpha,alpha,alpha,5-tetrafluorotoluene

DTXSID10372164CK1030SBB064733AKOS005258304PS-7830SY227789CS-00604244-Fluoro-2-(trifluoromethyl)phenyl acetic acid

데이터베이스 식별자

CAS: 195447-80-4
PubChem CID: 2737592
DTXSID: DTXSID10372164
EC Number: 671-114-1

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

녹는점: 51 · 51-55 °C(lit.)
끓는 점: 248 ℃ · 248℃
밀도: 1.436 · 1.436
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C9H6F4O2/c10-6-2-1-5(3-8(14)15)7(4-6)9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChIKey: BMUFUJMVNODTAD-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=CC(=CC=C1CC(=O)O)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2916399090
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37
위험 등급: IRRITANT

화학 및 산업

공급사52 곳

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

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