Basic information
- CAS
113307-80-5- Standard SMILES
CC1=NN(C(=O)c2cccc(Br)c2)C(C)(O)C1- InChIKey
HUDLDHITSOUPMY-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O2
- Average molar mass
- 297.15 g/mol
- Monoisotopic mass
- 296.01604
Names & identifiers
- Preferred name
- (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-YL)-methanone
- IUPAC
- (3-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanone
- English name
- (3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-methanone
- Molecular formula
- C12H13BrN2O2
- Molecular weight
- 297.15
Names & synonyms
113307-80-5(3-Bromo-phenyl)-(5-hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-methanoneRefChem:399989651-187-6(3-Bromophenyl)(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)methanone1-(3-bromobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol(3-bromophenyl)-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)methanoneAKOS024331115AB00084209-01Methanone, (3-bromophenyl)(4,5-dihydro-5-hydroxy-3,5-dimethyl-1H-pyrazol-1-yl)-
Database identifiers
- CAS
113307-80-5- PubChem CID
- 2844992
- EC Number
- 651-187-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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