4-Chloro-2,5-difluorobenzotrifluoride
Basic information
- CAS
1099597-35-9- Standard SMILES
Fc1cc(C(F)(F)F)c(F)cc1Cl- InChIKey
OSHAWXYKNXIRNX-UHFFFAOYSA-N- Molecular formula
- C7H2ClF5
- Average molar mass
- 216.53 g/mol
- Monoisotopic mass
- 215.9765186
Names & identifiers
- Preferred name
- 4-Chloro-2,5-difluorobenzotrifluoride
- IUPAC
- 1-chloro-2,5-difluoro-4-(trifluoromethyl)benzene
- English name
- 4-Chloro-2,5-difluorobenzotrifluoride
- Molecular formula
- C7H2ClF5
- Molecular weight
- 216.54
Names & synonyms
4-Chloro-2,5-difluorobenzotrifluoride1099597-35-91-chloro-2,5-difluoro-4-(trifluoromethyl)benzeneMFCD11226542DTXSID00672307AKOS005255749FS-5586F062693Benzene, 1-chloro-2,5-difluoro-4-(trifluoromethyl)-
Database identifiers
- CAS
1099597-35-9- PubChem CID
- 45790502
- DTXSID
DTXSID00672307
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- Hazard Codes
- Xi
- 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)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
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Related reactions
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Compound notes
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