Basic information
- CAS
879996-75-5- Standard SMILES
Cc1ccc(-c2[nH]ncc2C(=O)O)c(C)c1- InChIKey
KGEQBBPEZHGSNN-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 3-(2,4-Dimethylphenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 5-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
- English name
- 3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid879996-75-5RefChem:2734245-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acidMFCD04214818DTXSID301217520ALBB-007497AKOS000265007LS-02802CS-0365532H24625EN300-1855212
Show more names
3-(2,4-dimethylphenyl)-2H-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylic acid, 3-(2,4-dimethylphenyl)-
SR-01000270153SR-01000270153-13-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
879996-75-5- PubChem CID
- 975679
- DTXSID
DTXSID301217520
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 270 °C · >270 °C
- Boiling point
- 413.6 · 413.6±40.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.36(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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