Basic information
- Standard SMILES
CCOC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F- InChIKey
RNOJREZLCGQMPX-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2O2
- Average molar mass
- 284.23 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate
- English name
- 1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
- Molecular formula
- C13H11F3N2O2
- Molecular weight
- 284.23
Names & synonyms
Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate741717-63-5Ethyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylateMFCD10568308SCHEMBL4081721-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl esterAKOS015840675AS-5121DS-0494CS-0151714F0474161H-Pyrazole-4-carboxylicacid, 1-phenyl-3-(trifluoromethyl)-, ethyl ester
Database identifiers
- CAS
741717-63-5
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 91 · 91-93 °C(Solv: chloroform (67-66-3))
- Boiling point
- 355 · 355.0±42.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -5.74 · -5.74±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 29331990 · 29331990
Safety & regulation
Safety data
- hs_code
- 29331990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers21 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Aladdin Scientific[email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [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]
上海源叶生物科技有限公司13636370518 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
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