Basic information
- CAS
17355-75-8- Standard SMILES
CCOC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1- InChIKey
UVRLSBWBUBLBMP-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Names & identifiers
- Preferred name
- Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1,5-diphenylpyrazole-3-carboxylate
- English name
- 1H-Pyrazole-3-carboxylic acid, 1,5-diphenyl-, ethyl ester
- Molecular formula
- C18H16N2O2
- Molecular weight
- 292.33
Names & synonyms
Ethyl 1,5-diphenyl-1H-pyrazole-3-carboxylate17355-75-8Ethyl 1,5-diphenylpyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 1,5-diphenyl-, ethyl esterSCHEMBL9630738SAA35575MFCD27964303BS-45754CS-0161839D85558F547693
Database identifiers
- CAS
17355-75-8- PubChem CID
- 11140877
- Nikkaji
- J1.087.532C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 463.2 · 463.2±33.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2 · -2+-.0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
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
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Suppliers12 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [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]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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