1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1152533-76-0- Standard SMILES
O=C(O)c1ccn(-c2ccccc2Cl)n1- InChIKey
XVUVNZVHZHYLFI-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- 1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-(2-chlorophenyl)pyrazole-3-carboxylic acid
- English name
- 1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C10H7ClN2O2
- Molecular weight
- 222.63
Names & synonyms
1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid1152533-76-0RefChem:421838876-937-11-(2-chlorophenyl)pyrazole-3-carboxylic acidCWB53376AKOS008118964NCGC01445980-01EN300-60852G436781-(2-chlorophenyl)-1H-pyrazole-3-carboxylicacidZ362757264
Show more names
1H-Pyrazole-3-carboxylic acid, 1-(2-chlorophenyl)-
Database identifiers
- CAS
1152533-76-0- PubChem CID
- 33787136
- EC Number
- 876-937-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 412.5 · 412.5±25.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 3.81 · 3.81±0.10(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)
Aggregated GHS information provided per 2 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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