1,5-diphenyl-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
13599-22-9- Standard SMILES
O=C(O)c1cc(-c2ccccc2)n(-c2ccccc2)n1- InChIKey
JJMZLVASVSISLC-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- 1,5-diphenyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1,5-diphenylpyrazole-3-carboxylic acid
- English name
- 1,5-DIPHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.28
Names & synonyms
1,5-diphenyl-1H-pyrazole-3-carboxylic acid13599-22-9DTXSID70357831RefChem:221368DTXCID703088881,5-diphenylpyrazole-3-carboxylic acidMFCD014272731H-PYRAZOLE-3-CARBOXYLIC ACID, 1,5-DIPHENYL-CHEMBL1709075MLS0005304241,5-Diphenyl-1H-pyrazole-3-carboxylicacidOprea1_579683
Show more names
Alitretinoin Impurity 113-amino-4-anilino-2-benzopyran-1-one1,5-di(phenyl)pyrazole-3-carboxylic acid1,5-di(phenyl)-3-pyrazolecarboxylic acid1,5-diphenylpyrazole-3-carboxylic acid, 10 mM in DMSO1,5 diphenylpyrazole 3 carboxylic acid,1,5diphenylpyrazole3carboxylic acid
SCHEMBL695352orb1218895orb1298185REGID_for_CID_869152HMS2363N20ALBB-021713BDBM50080819EBC-06795
Database identifiers
- CAS
13599-22-9- PubChem CID
- 869152
- DTXSID
DTXSID70357831- ChEMBL
CHEMBL1709075- EC Number
- 984-993-4
- Nikkaji
- J1.398.528F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 183 °C · 183 °C(Solv: water (7732-18-5))
- Boiling point
- 496.2 · 496.2±33.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.86 · 3.86±0.10(Predicted)
- form
- powder
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…