3-(4-Bromophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
Basic information
- CAS
618098-07-0- Standard SMILES
COc1ccc(-n2nc(-c3ccc(Br)cc3)cc2N)cc1- InChIKey
IXGWWAXFXFUIPW-UHFFFAOYSA-N- Molecular formula
- C16H14BrN3O
- Average molar mass
- 344.21 g/mol
- Monoisotopic mass
- 343.03202
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
- IUPAC
- 3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-5-amine
- English name
- 3-(4-Bromophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
- Molecular formula
- C16H14BrN3O
- Molecular weight
- 344.21
Names & synonyms
3-(4-BROMOPHENYL)-1-(4-METHOXYPHENYL)-1H-PYRAZOL-5-AMINE618098-07-0RefChem:492700651-360-6AKOS012475331SALOR-INT L318256-1EA1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-methoxyphenyl)-
Database identifiers
- CAS
618098-07-0- PubChem CID
- 4452707
- EC Number
- 651-360-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 413 · H413-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H413-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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