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Basic information
- CAS
851725-98-9- Standard SMILES
CCOC(=O)c1cnn(C)c1C(F)F- InChIKey
AYCXDJXKBPZTTR-UHFFFAOYSA-N- Molecular formula
- C8H10F2N2O2
- Average molar mass
- 204.17 g/mol
- Monoisotopic mass
- 204.071034
Names & identifiers
- Preferred name
- Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-(difluoromethyl)-1-methylpyrazole-4-carboxylate
- English name
- Ethyl 1-methyl-5-(difluoromethyl)-1H-pyrazole-4-carboxylate
- Molecular formula
- C8H10F2N2O2
- Molecular weight
- 204.17
Names & synonyms
851725-98-9Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylateETHYL 1-METHYL-5-(DIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATEethyl 5-(difluoromethyl)-1-methylpyrazole-4-carboxylateMFCD10567168SCHEMBL19327AC-27612BS-52015CS-0312027Ethyl5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylateAMY12125DTXSID00672908
Show more names
5-(Difluoromethyl)-4-(ethoxycarbonyl)-1-methyl-1H-pyrazole5-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid ethy...1-Methyl-5-(difluoromethyl)pyrazole-4-carboxylic acid ethyl ester5-DifluoroMethyl-1-Methyl-1H-pyrazole-4-carboxylic acid ethyl ester1H-Pyrazole-4-carboxylic acid, 5-(difluoromethyl)-1-methyl-, ethyl ester
YQF1375SBB093265AKOS012300266DB-076267F77573F720334Ethyl 5-difluoromethyl-1-methylpyrazole-4-carboxylateethyl 5-(difluoromethyl)-1-methyl-pyrazole-4-carboxylate
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 288.4 · 288.4±40.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -1.26 · -1.26±0.10(Predicted)
- 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.
Safety data
- hs_code
- 2933199090
Chemistry & industry
Suppliers30 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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
南京一番化成生物科技有限公司025-025-52700520 18914499889 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
杭州氟药药业有限公司
Related reactions
2 records
Compound notes
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