Basic information
- CAS
885-94-9- Standard SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1- InChIKey
UBIULDHICQCHJE-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987762
Names & identifiers
- Preferred name
- Ethyl 1-phenyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-phenylpyrazole-4-carboxylate
- English name
- Ethyl 1-phenyl-1H-pyrazole-4-carboxylate, 97%
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
ethyl 1-phenyl-1H-pyrazole-4-carboxylate885-94-9DTXSID10549894RefChem:342090DTXCID20500678ethyl 1-phenylpyrazole-4-carboxylate1-phenyl-1H-pyrazole-4-carboxylic acid ethyl esterMFCD00973358SCHEMBL2411096SCHEMBL60861811H-Pyrazole-4-carboxylic acid, 1-phenyl-, ethyl esterCHEMBL5575024
Show more names
Ethyl 1-phenyl-1H-pyrazole-4-carboxylate, 97%
UBIULDHICQCHJE-UHFFFAOYSA-NSBB079335AKOS008483344BS-17778DA-16781SY140748CS-0151715EN300-110980
Database identifiers
- CAS
885-94-9- PubChem CID
- 13802154
- DTXSID
DTXSID10549894- ChEMBL
CHEMBL5575024- Nikkaji
- J3.456.431K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 97 · 97-99℃
- Boiling point
- 330.8 · 330.8±15.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.5 · -2.50±0.10(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers29 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
南京凯莫森医药科技有限公司18114022054; 18114022054
Related reactions
5 records
Compound notes
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