Basic information
- CAS
498-67-9- Standard SMILES
FC(Cl)(Cl)c1ccccc1- InChIKey
OMEURKZGLJYCGS-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2F
- Average molar mass
- 179.02 g/mol
- Monoisotopic mass
- 177.9752337
Names & identifiers
- Preferred name
- (Dichlorofluoromethyl)benzene
- IUPAC
- [dichloro(fluoro)methyl]benzene
- English name
- (Dichlorofluoromethyl)benzene
- Molecular formula
- C7H5Cl2F
- Molecular weight
- 179.02
Names & synonyms
(Dichlorofluoromethyl)benzene498-67-9alpha,alpha-Dichloro-alpha-fluorotolueneDTXSID7060099RefChem:69968DTXCID6040743207-867-6[dichloro(fluoro)methyl]benzene(dichloro-fluoro-methyl)-benzeneBenzene, (dichlorofluoromethyl)-EINECS 207-867-6BRN 1932694
Show more names
Fluorodichloromethylbenzola,a-Dichloro-a-fluorotoluene(dichlorofluoromethyl)-benzenalpha,alpha-dichloro-alpha-fluoro-toluen
Toluene, alpha,alpha-dichloro-alpha-fluoro-4-05-00-00818 (Beilstein Handbook Reference)SCHEMBL5720508SCHEMBL9201515SCHEMBL9201518SCHEMBL9530154OMEURKZGLJYCGS-UHFFFAOYSA-NSBB089505
Database identifiers
- CAS
498-67-9- PubChem CID
- 68136
- DTXSID
DTXSID7060099- EC Number
- 207-867-6
- Nikkaji
- J31.784E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -26.8 °C · -26.8°C
- Boiling point
- 179 °C · 179°C (rough estimate)
- Density
- 1.3138 · 1.3138
- refractive index
- 1.518 · 1.5180
- EPA Substance Registry System
- (Dichlorofluoromethyl)benzene (498-67-9)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 2902900000 · 2902900000
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
- tsca
- TSCA listed
- hs_code
- 2902900000
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (dichlorofluoromethyl)-: INACTIVE
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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