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Basic information
- CAS
1004643-62-2- Standard SMILES
O=C(O)c1cccc(Cn2ccc(C(F)(F)F)n2)c1- InChIKey
IYMPJPDKJCWPQM-UHFFFAOYSA-N- Molecular formula
- C12H9F3N2O2
- Average molar mass
- 270.21 g/mol
- Monoisotopic mass
- 270.06161219
Names & identifiers
- Preferred name
- 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid
- IUPAC
- 3-{[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
- English name
- 3-{[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
- Molecular formula
- C12H9F3N2O2
- Molecular weight
- 270.21
Names & synonyms
3-{[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acidBenzoic acid, 3-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-
Database identifiers
- CAS
1004643-62-2- PubChem CID
- 7017751
- DTXSID
DTXSID601189154- EC Number
- 840-951-6
Properties
Physicochemical properties
- Boiling point
- 421.4 · 421.4±45.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 4.12 · 4.12±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
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Compound notes
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