tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylate

HCID 57518451CAS 1152440-02-2

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1
InChIKey: SVHZDIVYRFEIBI-UHFFFAOYSA-N
분자식: C12H15BrF3N3O2
평균 분자량: 370.17 g/mol

이름 및 식별자

우선 이름: tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylate
IUPAC: tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

이름 및 동의어

1152440-02-2tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylatetert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylateRefChem:892065886-301-5tert-butyl 1-bromo-3-(trifluoromethyl)-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylatetert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylateimidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-bromo-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl esterSCHEMBL2855779CWB44002MFCD24848028SY407494

이름 더 보기

DB-388244CS-0113181D77200EN300-7087121-Bromo-7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazinetert-butyl1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate1-bromo-3-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazine-7-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 1152440-02-2
PubChem CID: 57518451
EC Number: 886-301-5

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 47.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 414

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.