1-Chloro-2-(1,1-difluoroethyl)-4,5-difluorobenzene
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Basic information
- CAS
1138444-88-8- Standard SMILES
CC(F)(F)c1cc(F)c(F)cc1Cl- InChIKey
HTMMJPLXJLZKRK-UHFFFAOYSA-N- Molecular formula
- C8H5ClF4
- Average molar mass
- 212.57 g/mol
- Monoisotopic mass
- 212.0015905
Names & identifiers
- Preferred name
- 1-Chloro-2-(1,1-difluoroethyl)-4,5-difluorobenzene
- IUPAC
- 1-chloro-2-(1,1-difluoroethyl)-4,5-difluorobenzene
- English name
- 1-Chloro-2-(1,1-difluoroethyl)-4,5-difluorobenzene
- Molecular formula
- C8H5ClF4
- Molecular weight
- 212.57
Names & synonyms
1-CHLORO-2-(1,1-DIFLUOROETHYL)-4,5-DIFLUOROBENZENE1138444-88-8MFCD11845798DTXSID901226452AKOS0052563491-chloro-2-(1,1-difluoroethyl)-4,5-difluoro-benzeneBenzene, 1-chloro-2-(1,1-difluoroethyl)-4,5-difluoro-
Database identifiers
- CAS
1138444-88-8- PubChem CID
- 45790691
- DTXSID
DTXSID901226452
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 186.1 · 186.1±35.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- 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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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