1-Chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene
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Basic information
- CAS
1138444-94-6- Standard SMILES
CC(F)(F)c1ccc(Cl)c(C(F)(F)F)c1- InChIKey
XXRFAXKQLBZEOB-UHFFFAOYSA-N- Molecular formula
- C9H6ClF5
- Average molar mass
- 244.59 g/mol
- Monoisotopic mass
- 244.0078187
Names & identifiers
- Preferred name
- 1-Chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene
- IUPAC
- 1-chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene
- English name
- 1-Chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene
- Molecular formula
- C9H6ClF5
- Molecular weight
- 244.59
Names & synonyms
1-CHLORO-4-(1,1-DIFLUOROETHYL)-2-(TRIFLUOROMETHYL)BENZENE1138444-94-6MFCD11845801C9H6ClF5DTXSID801198741AKOS005256364CS-0274778EN300-1614172Benzene, 1-chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)-
Database identifiers
- CAS
1138444-94-6- PubChem CID
- 45790692
- DTXSID
DTXSID801198741
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 186.5 · 186.5±35.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H319-H302+H312+H332-H315
- Precautionary statements
- 210 · P210-P241-P362+P364
- HazardClass
- IRRITANT
- HS Code
- 2903998090 · 2903998090
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
- hs_code
- 2903998090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H226-H319-H302+H312+H332-H315
- Precautionary statements
- P210-P241-P362+P364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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