Basic information
- CAS
433-95-4- Standard SMILES
FC(F)(F)c1ccccc1C(F)(F)F- InChIKey
XXZOEDQFGXTEAD-UHFFFAOYSA-N- Molecular formula
- C8H4F6
- Average molar mass
- 214.11 g/mol
- Monoisotopic mass
- 214.0217191
Names & identifiers
- Preferred name
- 1,2-Bis(trifluoromethyl)benzene
- IUPAC
- 1,2-bis(trifluoromethyl)benzene
- English name
- 1,2-Bis(trifluoromethyl)benzene
- Molecular formula
- C8H4F6
- Molecular weight
- 214.11
Names & synonyms
1,2-BIS(TRIFLUOROMETHYL)BENZENE433-95-4MRD8XU7FGREINECS 207-092-3Benzene, 1,2-bis(trifluoromethyl)-DTXSID90195818RefChem:411419DTXCID30118309207-092-3hexafluoroxyleneMFCD03094218o-Bis(trifluoromethyl)benzene
Show more names
1,2-Bis(trifuoromethyl)benzene1,2-BIS(TRIFLUROMETHYL)BENZENE1,2-Bis(trifluoromethyl)benzene>α,α,α,α',α',α'-Hexafluoro-o-xyleneo-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
1,2-bis-(trifluoromethyl)benzeneSCHEMBL6346926545-61-9alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-o-xyleneo-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-UNII-MRD8XU7FGRFT-0632127A872705
Database identifiers
- CAS
433-95-4- PubChem CID
- 9818
- DTXSID
DTXSID90195818- UNII
- MRD8XU7FGR
- EC Number
- 207-092-3
- Nikkaji
- J105.295K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 142 °C · 142 °C
- Density
- 1.44 · 1.44
- refractive index
- 1.392 · 1.3920-1.3960
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- CAS DataBase Reference
- 433 · 433-95-4(CAS DataBase Reference)
- FDA UNII
- 8 XU7FGR · MRD8XU7FGR
- NIST Chemistry Reference
- 1 · Benzene, 1,2-bis(trifluoromethyl)-(433-95-4)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
- Hazard Codes
- F
- RIDADR
- 1993 · 1993
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 29039990
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F
- hazard_note
- Flammable
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Chemistry & industry
Applications
Uses1,2-Bis(trifluoromethyl)benzene is a useful reagent for preparing biphenyls through arylation of electron-deficient arenes with aryl halides. It was also employed to investigate the effect of aromatic trifluoromethylation, fluorination, and methylation on intermolecular n-n interactions. The results can provide insights on interactions between drug molecules and protein receptors.
Upstream & downstream products
Downstream products
Suppliers76 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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