Basic information
- CAS
618102-47-9- Standard SMILES
O=C(O)c1cc(-c2ccc(Cl)cc2)nn1-c1cccc(Cl)c1- InChIKey
ZKEYKFOYHNEQLF-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2N2O2
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.011933
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-(3-chlorophenyl)-3-(4-chlorophenyl)pyrazole-5-carboxylic acid
- English name
- 1-(3-Chlorophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
- Molecular formula
- C16H10Cl2N2O2
- Molecular weight
- 333.17
Names & synonyms
1-(3-chlorophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid618102-47-9RefChem:74306648-835-5DTXSID601162049TZA10247AKOS022948944SALOR-INT L323365-1EA1H-Pyrazole-5-carboxylic acid, 1-(3-chlorophenyl)-3-(4-chlorophenyl)-
Database identifiers
- CAS
618102-47-9- PubChem CID
- 3695960
- DTXSID
DTXSID601162049- EC Number
- 648-835-5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- 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, P273, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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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