4,4,4-트리플루오로-1-(3-트리플루오로메틸페닐)부탄-1,3-디온

4,4,4-Trifluoro-1-[3-(trifluoromethyl)phenyl]butane-1,3-dione

HCID 16227957

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 94856-24-3
표준 SMILES: O=C(CC(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIKey: YQKXBCGSOZNMMC-UHFFFAOYSA-N
분자식: C11H6F6O2
평균 분자량: 284.15 g/mol
단동위원소 질량: 284.02719875

이름 및 식별자

우선 이름: 4,4,4-Trifluoro-1-[3-(trifluoromethyl)phenyl]butane-1,3-dione
IUPAC: 4,4,4-trifluoro-1-[3-(trifluoromethyl)phenyl]butane-1,3-dione
현지명: 4,4,4-트리플루오로-1-(3-트리플루오로메틸페닐)부탄-1,3-디온
영어명: 4,4,4-Trifluoro-1-(3-trifluoromethylphenyl)butane-1,3-dione
분자식: C11H6F6O2
분자량: 284.15

이름 및 동의어

4,4,4-trifluoro-1-[3-(trifluoromethyl)phenyl]butane-1,3-dioneDTXSID705854754,4,4-Trifluoro-1-(3-(trifluoromethyl)phenyl)butane-1,3-dioneRefChem:506927DTXCID70536240844-077-694856-24-34,4,4-Trifluoro-1-(3-trifluoromethylphenyl)-1,3-butanedione(3-Trifluoromethylbenzoyl)-3,3,3-trifluoroacetoneMFCD07779626SCHEMBL1346272AKOS000117941

이름 더 보기

4,4,4-트리플루오로-1-(3-트리플루오로메틸페닐)부탄-1,3-디온AKOS BBR-0046874,4,4-Trifluoro-1-(3-trifluoromethylphenyl)butane-1,3-dione1,3-Butanedione, 4,4,4-trifluoro-1-[3-(trifluoromethyl)phenyl]-

AB87317CS-0244298EN300-27494G30051F033151Z2353442611-(3-trifluoromethyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione4,4,4-trifluoro-1-(3-trifluoromethyl-phenyl)-butane-1,3-dione

데이터베이스 식별자

CAS: 94856-24-3
PubChem CID: 16227957
DTXSID: DTXSID70585475
EC Number: 844-077-6

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 357

물리화학적 성질

저장 조건: Store at Room Tem.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.