Basic information
- CAS
1255735-09-1- Standard SMILES
Cn1nc(C(F)F)c(C(=O)O)c1F- InChIKey
AXJCNOQHTJLWDH-UHFFFAOYSA-N- Molecular formula
- C6H5F3N2O2
- Average molar mass
- 194.11 g/mol
- Monoisotopic mass
- 194.03031189
Names & identifiers
- Preferred name
- 3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxylic acid
- English name
- 3-(DifluoroMethyl)-5-fluoro-1-Methyl-1H-Pyrazole-4-carboxylic acid
- Molecular formula
- C6H5F3N2O2
- Molecular weight
- 194.11
Names & synonyms
3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid1255735-09-1MFCD206462213-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxylic acidSCHEMBL437422YQF0821AKOS027326198AS-72086SY404186DB-347664CS-0443305W19343
Show more names
F7676533-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxylicacid3-(difluoromethyl)-5-fluoro-1-methyl-pyrazole-4-carboxylic acid3-difluoromethyl-5-fluoro-1-methyl-1H-pyrazole-4-carboxylic acid5-fluoro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-5-fluoro-1-methyl-
Database identifiers
- CAS
1255735-09-1- PubChem CID
- 23192584
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 302 · 302.0±42.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京博恩康达医药科技有限公司13261021908 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
29 records
Compound notes
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