CAS 345-32-4 5-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione (HCID 12351496)

기본 정보

CAS: 345-32-4
표준 SMILES: O=C1Nc2ccc(C(F)(F)F)cc2C1=O
InChIKey: WODYULWWVAMDCP-UHFFFAOYSA-N
분자식: C9H4F3NO2
평균 분자량: 215.13 g/mol
단동위원소 질량: 215.01941303

이름 및 식별자

우선 이름: 5-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione
IUPAC: 5-(trifluoromethyl)-1H-indole-2,3-dione
영어명: 5-(TRIFLUOROMETHYL)ISATIN
분자식: C9H4F3NO2
분자량: 215.13

이름 및 동의어

5-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-INDOLE-2,3-DIONERefChem:531754864-875-8345-32-45-(trifluoromethyl)indoline-2,3-dione5-(Trifluoromethyl)isatin5-(Trifluoromethyl)-1H-indole-2,3-dione5-TrifluoromethylisatinMFCD015695101H-INDOLE-2,3-DIONE, 5-(TRIFLUOROMETHYL)-5-triflouromethylisatin5-trifluoromethyl-1H-indole-2,3-dione

이름 더 보기

BUTTPARK 24\07-39Trifluoromethyl isatinN-Boc-4-keto-proline methyl ester5-(TRIFLUOROMETHYL)ISATIN ISO 9001：2015 REACH5-(Trifluoromethyl)-1H-indole-2,3-dione, 5-(Trifluoromethyl)indolin-2,3-dione

SCHEMBL2372316CHEMBL2228474SCHEMBL30120589DTXSID304933605-trifluoromethylindoline-2,3-dioneSBB055987AKOS000143021FT67199

데이터베이스 식별자

CAS: 345-32-4
PubChem CID: 12351496
DTXSID: DTXSID30493360
ChEMBL: CHEMBL2228474
EC Number: 864-875-8
Nikkaji: J1.691.841E

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 313

물리화학적 성질

녹는점: 246 °C · 246 °C(Solv: acetic acid (64-19-7))
밀도: 1.525 · 1.525±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 9.48 · 9.48±0.20(Predicted)

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.