Basic information
- CAS
618441-80-8- Standard SMILES
Cc1ccccc1-n1cc(CO)c(-c2ccccc2)n1- InChIKey
LKOIJUJTOBFIHE-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- (1-(2-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
- IUPAC
- [1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methanol
- English name
- (3-Phenyl-1-o-tolyl-1H-pyrazol-4-yl)methanol
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32
Names & synonyms
618441-80-8(1-(2-METHYLPHENYL)-3-PHENYL-1H-PYRAZOL-4-YL)METHANOLRefChem:391655646-362-9(3-PHENYL-1-O-TOLYL-1H-PYRAZOL-4-YL)METHANOL(3-Phenyl-1-(o-tolyl)-1H-pyrazol-4-yl)methanolAKOS001367262CCG-304712Z235449104SALOR-INT L446335-1EA1H-Pyrazole-4-methanol, 1-(2-methylphenyl)-3-phenyl-
Database identifiers
- CAS
618441-80-8- PubChem CID
- 3868024
- EC Number
- 646-362-9
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 39 reports by companies from 2 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
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
Dr. Jagath Reddy's Heterocyclics[email protected]
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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