Basic information
- CAS
1186195-11-8- Standard SMILES
FC(F)c1cnc2ccccc2c1- InChIKey
XDHSYBXDQCXLPM-UHFFFAOYSA-N- Molecular formula
- C10H7F2N
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05465555
Names & identifiers
- Preferred name
- 3-(Difluoromethyl)quinoline
- IUPAC
- 3-(difluoromethyl)quinoline
- English name
- 3-(DIFLUOROMETHYL)QUINOLINE
- Molecular formula
- C10H7F2N
- Molecular weight
- 179.17
Names & synonyms
3-(difluoromethyl)quinoline1186195-11-8MFCD11226559SCHEMBL30474837XDHSYBXDQCXLPM-UHFFFAOYSA-NLXB19511AKOS005255646SB85684SY198514CS-0239337EN300-210203Quinoline, 3-(difluoromethyl)-
Database identifiers
- CAS
1186195-11-8- PubChem CID
- 45790517
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 272.4 · 272.4±30.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.12(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
Suppliers2 total
安徽合诺生物科技有限公司18455579438
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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