(5-Amino-1-(2-methylphenyl)-1H-pyrazol-4-YL)(4-bromophenyl)methanone
Basic information
- CAS
618091-78-4- Standard SMILES
Cc1ccccc1-n1ncc(C(=O)c2ccc(Br)cc2)c1N- InChIKey
AOLHDHFNJMGJTN-UHFFFAOYSA-N- Molecular formula
- C17H14BrN3O
- Average molar mass
- 356.2 g/mol
- Monoisotopic mass
- 355.03202
Names & identifiers
- Preferred name
- (5-Amino-1-(2-methylphenyl)-1H-pyrazol-4-YL)(4-bromophenyl)methanone
- IUPAC
- [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-(4-bromophenyl)methanone
- English name
- (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)(4-bromophenyl)methanone
- Molecular formula
- C17H14BrN3O
- Molecular weight
- 356.22
Names & synonyms
618091-78-4(5-AMINO-1-(2-METHYLPHENYL)-1H-PYRAZOL-4-YL)(4-BROMOPHENYL)METHANONERefChem:403732650-923-3(5-AMINO-1-O-TOLYL-1H-PYRAZOL-4-YL)(4-BROMOPHENYL)METHANONE(5-Amino-1-(o-tolyl)-1H-pyrazol-4-yl)(4-bromophenyl)methanoneAKOS024408756SALOR-INT L252166-1EAJR-13459, (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)(4-bromophenyl)methanoneMethanone, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl](4-bromophenyl)-
Database identifiers
- CAS
618091-78-4- PubChem CID
- 4075288
- EC Number
- 650-923-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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