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

HCID 57518451

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 1152440-02-2
標準SMILES: CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1
InChIKey: SVHZDIVYRFEIBI-UHFFFAOYSA-N
分子式: C12H15BrF3N3O2
平均分子量: 370.17 g/mol

名称と識別子

優先名称: 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

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性補完中

XLogP: 2.4
極性表面積: 47.4 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 21
形式電荷: 0
複雑度: 414

安全と法規制

GHS分類

GHS Classification · 4 件

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.