Basic information
- CAS
1214622-47-5- Standard SMILES
O=Cc1cccc(F)c1-n1cccn1- InChIKey
WOGUYRVJKYRLIH-UHFFFAOYSA-N- Molecular formula
- C10H7FN2O
- Average molar mass
- 190.17 g/mol
- Monoisotopic mass
- 190.05424101
Names & identifiers
- Preferred name
- 3-Fluoro-2-(1H-pyrazol-1-YL)benzaldehyde
- IUPAC
- 3-fluoro-2-pyrazol-1-ylbenzaldehyde
- English name
- 3-Fluoro-2-(1H-pyrazol-1-yl)benzaldehyde
- Molecular formula
- C10H7FN2O
- Molecular weight
- 190.17
Names & synonyms
3-FLUORO-2-(1H-PYRAZOL-1-YL)BENZALDEHYDE1214622-47-53-fluoro-2-pyrazol-1-ylbenzaldehydeDTXSID401277262AKOS006332484CS-0268641EN300-1292271Benzaldehyde, 3-fluoro-2-(1H-pyrazol-1-yl)-
Database identifiers
- CAS
1214622-47-5- PubChem CID
- 53409751
- DTXSID
DTXSID401277262
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 314.3 · 314.3±32.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- -0.67 · -0.67±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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