Basic information
- CAS
1557662-14-2- Standard SMILES
Cn1nc(Br)cc1CN- InChIKey
WWRXJDMMDFDOQC-UHFFFAOYSA-N- Molecular formula
- C5H8BrN3
- Average molar mass
- 190.04 g/mol
- Monoisotopic mass
- 188.99016
Names & identifiers
- Preferred name
- (3-bromo-1-methyl-1H-pyrazol-5-yl)methanamine
- IUPAC
- (3-bromo-1-methylpyrazol-5-yl)methanamine
Names & synonyms
(3-bromo-1-methyl-1H-pyrazol-5-yl)methanamine1557662-14-2RefChem:399945890-832-8EN300-1897159
Database identifiers
- CAS
1557662-14-2- PubChem CID
- 83851981
- EC Number
- 890-832-8
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.2
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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