Basic information
- CAS
618441-69-3- Standard SMILES
OCc1cn(-c2cccc(Cl)c2)nc1-c1ccc(Br)cc1- InChIKey
OGGICKBNRQTKON-UHFFFAOYSA-N- Molecular formula
- C16H12BrClN2O
- Average molar mass
- 363.63 g/mol
- Monoisotopic mass
- 361.98215
Names & identifiers
- Preferred name
- (3-(4-Bromophenyl)-1-(3-chlorophenyl)-1H-pyrazol-4-YL)methanol
- IUPAC
- [3-(4-bromophenyl)-1-(3-chlorophenyl)pyrazol-4-yl]methanol
- English name
- (3-(4-Bromophenyl)-1-(3-chlorophenyl)-1H-pyrazol-4-yl)methanol
- Molecular formula
- C16H12BrClN2O
- Molecular weight
- 363.64
Names & synonyms
(3-(4-Bromophenyl)-1-(3-chlorophenyl)-1H-pyrazol-4-yl)methanol618441-69-3RefChem:399567646-367-6[3-(4-bromophenyl)-1-(3-chlorophenyl)pyrazol-4-yl]methanolAKOS024416341F493978SALOR-INT L446203-1EA1H-Pyrazole-4-methanol, 3-(4-bromophenyl)-1-(3-chlorophenyl)-JR-2370, (3-(4-Bromophenyl)-1-(3-chlorophenyl)-1H-pyrazol-4-yl)methanol, 97%
Database identifiers
- CAS
618441-69-3- PubChem CID
- 3694767
- EC Number
- 646-367-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Chemistry & industry
Suppliers1 total
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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