CAS 1152440-02-2 tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylate (HCID 57518451)

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Basic information

CAS: 1152440-02-2
Standard SMILES: CC(C)(C)OC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1
InChIKey: SVHZDIVYRFEIBI-UHFFFAOYSA-N
Molecular formula: C12H15BrF3N3O2
Average molar mass: 370.17 g/mol

Names & identifiers

Preferred name: 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

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 1152440-02-2

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 47.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 414

Safety & regulation

GHS classification

GHS Classification · 4 items

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.