2-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid

HCID 12449520
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
66549-17-5
표준 SMILES
CC(CC(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIKey
CPFSOBKNKNLDCX-UHFFFAOYSA-N
분자식
C12H11F3O3
평균 분자량
260.21 g/mol
단동위원소 질량
260.06602887

이름 및 식별자

우선 이름
2-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid
IUPAC
2-methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid
영어명
2-METHYL-4-OXO-4-(3'-TRIFLUOROMETHYLPHENYL)BUTYRIC ACID
분자식
C12H11F3O3
분자량
260.21

이름 및 동의어

66549-17-52-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid2-Methyl-4-oxo-4-(3-(trifluoromethyl)phenyl)butanoic acid2-Methyl-4-oxo-4-(3'-trifluoromethylphenyl)butyric acidMFCD04972251SCHEMBL11151625DTXSID50498756SBB102283AKOS010910353DB-021350F935462-Methyl-3-(m-trifluoromethylbenzoyl)propionic acid
이름 더 보기
2-Methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]ButanoicacidBenzenebutanoic acid, α-methyl-γ-oxo-3-(trifluoromethyl)-Benzenebutanoic acid, a-Methyl-g-oxo-3-(trifluoroMethyl)-
2-Methyl-4-oxo-4-(3-trifluoromethylphenyl)butyric acid2-Methyl-4-oxo-4-(3-(trifluoromethyl)phenyl)butanoicacid

데이터베이스 식별자

CAS
66549-17-5
PubChem CID
12449520
DTXSID
DTXSID50498756
EC Number
688-056-8

물성

구조 계산 물성

XLogP
2.5
극성 표면적
54.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
18

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

HS 번호
2915601990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39

화학 및 산업

공급사7 곳

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…