2-Bromo-5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
Basic information
- CAS
13223-38-6- Standard SMILES
Cc1cc(C)n2nc(Br)nc2n1- InChIKey
RZBMEMUKZHCDIF-UHFFFAOYSA-N- Molecular formula
- C7H7BrN4
- Average molar mass
- 227.06 g/mol
- Monoisotopic mass
- 225.98541
Names & identifiers
- Preferred name
- 2-Bromo-5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
- IUPAC
- 2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 2-Bromo-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
- Molecular formula
- C7H7BrN4
- Molecular weight
- 227.06
Names & synonyms
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine13223-38-62-Bromo-5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidineRefChem:466665820-906-72-bromo-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidineRZBMEMUKZHCDIF-UHFFFAOYSA-NCl-6202AKOS001013481CS-0245374EN300-30402AE-848/32009062
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine, 2-bromo-5,7-dimethyl-
AG-690/07585038Z56761476F2167-1302
Database identifiers
- CAS
13223-38-6- PubChem CID
- 854932
- EC Number
- 820-906-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- -0.57 · -0.57±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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