Basic information
- CAS
1527476-45-4- Standard SMILES
Cn1nc(Br)cc1C#N- InChIKey
OWUIYQRIRLOCAQ-UHFFFAOYSA-N- Molecular formula
- C5H4BrN3
- Average molar mass
- 186.01 g/mol
- Monoisotopic mass
- 184.95886
Names & identifiers
- Preferred name
- 3-bromo-1-methyl-1H-pyrazole-5-carbonitrile
- IUPAC
- 3-bromo-1-methylpyrazole-5-carbonitrile
- English name
- 3-bromo-1-methyl-1H-pyrazole-5-carbonitrile
- Molecular formula
- C5H4BrN3
- Molecular weight
- 186.01
Names & synonyms
3-Bromo-1-methyl-1H-pyrazole-5-carbonitrile1527476-45-4RefChem:498236823-461-7MFCD307240215-bromo-2-methylpyrazole-3-carbonitrileSCHEMBL15401757AKOS0408047963-bromo-1-methyl-1H-pyrazole-5-nitrileSY223213DB-424619EN300-374145
Show more names
G799631H-Pyrazole-5-carbonitrile, 3-bromo-1-methyl-F554035
Database identifiers
- CAS
1527476-45-4- PubChem CID
- 89914907
- EC Number
- 823-461-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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, P317, 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-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers10 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
上海平创化工科技有限公司15001988657 15802146997 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海化鑫微医药科技有限公司18019176997 18019176997 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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