3-(Trifluoromethyl)phenylglyoxal

HCID 2783284

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38923-38-5
표준 SMILES: O=CC(=O)c1cccc(C(F)(F)F)c1
InChIKey: VLGYXNRPAZQQDZ-UHFFFAOYSA-N
분자식: C9H5F3O2
평균 분자량: 202.13 g/mol

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)phenylglyoxal
IUPAC: 2-oxo-2-[3-(trifluoromethyl)phenyl]acetaldehyde
영어명: 3-(Trifluoromethyl)phenylglyoxal hydrate
분자식: C9H5F3O2
분자량: 202.13

이름 및 동의어

38923-38-53-(Trifluoromethyl)phenylglyoxal2-oxo-2-[3-(trifluoromethyl)phenyl]acetaldehyde2-oxo-2-(3-(trifluoromethyl)phenyl)acetaldehydem-trifluoromethylphenylglyoxal3-trifluoromethylphenylglyoxal3-trifluoromethylphenyl glyoxalSCHEMBL1031954SCHEMBL29742914SBB092866AKOS007929916(oxo)[3-trifluoromethylphenyl]acetaldehyde

이름 더 보기

Benzeneacetaldehyde, a-oxo-3-(trifluoromethyl)-Benzeneacetaldehyde, α-oxo-3-(trifluoromethyl)-

oxo[3-(trifluoromethyl)phenyl]acetaldehyde(oxo) [3-trifluoromethylphenyl]acetaldehydeoxo [3-(trifluoromethyl)phenyl]acetaldehyde2-oxo-2-[3-(trifluoromethyl)phenyl]ethanal

데이터베이스 식별자

CAS: 38923-38-5
PubChem CID: 2783284
EC Number: 680-994-6
Nikkaji: J2.485.352G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 235

물리화학적 성질

끓는 점: 73 · 73-75
밀도: 1.331 · 1.331±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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.