(2-Chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
Basic information
- CAS
16878-50-5- Standard SMILES
FC(F)(F)C(Cl)(c1ccccc1)C(F)(F)F- InChIKey
DGTQQDMGYPZUIN-UHFFFAOYSA-N- Molecular formula
- C9H5ClF6
- Average molar mass
- 262.58 g/mol
- Monoisotopic mass
- 261.9983968
Names & identifiers
- Preferred name
- (2-Chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
- IUPAC
- (2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
- English name
- (1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene
- Molecular formula
- C9H5ClF6
- Molecular weight
- 262.58
Names & synonyms
16878-50-5(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)benzeneDTXSID10371470RefChem:205882DTXCID70322504(2-chloro)hexafluoro-2-phenylpropane(2-Chlorohexafluoroisopropyl)benzene(1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene2-chlorohexafluoro-2-phenylpropaneMFCD00514599(2-Chloro-1,1,1,3,3,3-Hexafluoro-2-Propanyl)BenzeneBenzene, [1-chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
Show more names
2-CHLORO-2-PHENYLHEXAFLUOROPROPANE
2-Chlorohexafluoroisopropyl)benzeneSCHEMBL7967046DGTQQDMGYPZUIN-UHFFFAOYSA-N2-chloro-hexafluoro-2-phenylpropaneSBB102591AKOS0159107631-(2-Chlorohexafluoroisopropyl)benzeneMS-20310
Database identifiers
- CAS
16878-50-5- PubChem CID
- 2736598
- DTXSID
DTXSID10371470
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- -38.2 · -38.2--38.0 °C
- Boiling point
- 159 °C · 159°C
- Density
- 1.5477 g/cm3 · 1.5477 g/cm3(Temp: 26 °C)
- form
- liquid
- color
- Clear, colourless
- CAS DataBase Reference
- 16878 · 16878-50-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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