Basic information
- CAS
50562-22-6- Standard SMILES
FC(F)(F)Cc1cccc(C(F)(F)F)c1- InChIKey
ZDMPOTKYTHEWOD-UHFFFAOYSA-N- Molecular formula
- C9H6F6
- Average molar mass
- 228.13 g/mol
- Monoisotopic mass
- 228.03736916
Names & identifiers
- Preferred name
- 1-(2,2,2-Trifluoroethyl)-3-(trifluoromethyl)benzene
- IUPAC
- 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzene
- English name
- 1-(2,2,2-Trifluoroethyl)-3-(trifluoromethyl)benzene
- Molecular formula
- C9H6F6
- Molecular weight
- 228.13
Names & synonyms
1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzene50562-22-6MFCD112265481-(2,2,2-Trifluoroethyl)-3-(trifluoromethyl)-benzeneNSC 142231NSC142231SCHEMBL5272253SCHEMBL15741569DTXSID10301292AKOS005255798NSC-142231CS-0331942
Show more names
Benzene, 1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-
F1016481-(2,2,2-Trifluoro-ethyl)-3-trifluoromethyl-benzene1-(trifluoromethyl)-3-(2,2,2-trifluoroethyl)benzeneBenzene, 1-trifluoromethyl-3-(2,2,2-trifluoroethyl)5156-13-8
Database identifiers
- CAS
50562-22-6- PubChem CID
- 285368
- DTXSID
DTXSID10301292
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- 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
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers2 total
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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