3-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1007541-81-2- Standard SMILES
O=C(O)c1cn[nH]c1-c1cccc(Cl)c1- InChIKey
NRLXVXJRFCKANA-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid
- English name
- 5-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid
- Molecular formula
- C10H7ClN2O2
- Molecular weight
- 222.63
Names & synonyms
1007541-81-23-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acidRefChem:2741385-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acidMFCD084438593-(3-CHLOROPHENYL)-PYRAZOLE-4-CARBOXYLIC ACIDDTXSID301240127HQB54181LH0030STL284665AKOS003672888AKOS022061557
Show more names
1H-Pyrazole-4-carboxylic acid, 3-(3-chlorophenyl)-
AT287133-(3-Chlorophenyl)pyrazole-4-carboxylic acidEN300-1049955-(3-chlorophenyl)-1H-pyrazole-4-carboxylicacidF525970Z362114714
Database identifiers
- CAS
1007541-81-2- PubChem CID
- 23005666
- DTXSID
DTXSID301240127- EC Number
- 978-719-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 457.8 · 457.8±30.0 °C(Predicted)
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- 3.42 · 3.42±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…