Basic information
- CAS
312-95-8- Standard SMILES
FC(F)c1ccccc1C(F)(F)F- InChIKey
LYADDKODNUCIMF-UHFFFAOYSA-N- Molecular formula
- C8H5F5
- Average molar mass
- 196.12 g/mol
- Monoisotopic mass
- 196.03114126
Names & identifiers
- Preferred name
- alpha,alpha,alpha,alpha',alpha'-Pentafluoro-o-xylene
- IUPAC
- 1-(difluoromethyl)-2-(trifluoromethyl)benzene
- English name
- alpha,alpha,alpha,alpha',alpha'-pentafluoro-o-xylene
- Molecular formula
- C8H5F5
- Molecular weight
- 196.12
Names & synonyms
1-(difluoromethyl)-2-(trifluoromethyl)benzene312-95-8alpha,alpha,alpha,alpha',alpha'-Pentafluoro-o-xyleneMFCD110422231-(Difluoromethyl)-2-(trifluoromethyl)benzene stabilized over potassium carbonateEINECS 206-234-1SCHEMBL1063349SCHEMBL1064623SCHEMBL1065986SCHEMBL1066657SCHEMBL6632407SCHEMBL10546400
Show more names
Pentafluoro-ortho xyleneα,α,α,α',α'-pentafluoro-o-xyleneBenzene, 1-(difluoromethyl)-2-(trifluoromethyl)-
DTXSID70185131LYADDKODNUCIMF-UHFFFAOYSA-NAKOS006306299SY265703CS-0450877NS00041826
Database identifiers
- CAS
312-95-8- PubChem CID
- 67562
- DTXSID
DTXSID70185131- EC Number
- 206-234-1
- Nikkaji
- J193.729D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 140 · 140-142 °C
- Density
- 1.299 · 1.299±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- InChI
- InChI=1S/C8H5F5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
- InChIKey
- LYADDKODNUCIMF-UHFFFAOYSA-N
- SMILES
- C1(C(F)F)=CC=CC=C1C(F)(F)F
- 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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shanghai Cube Chemical Co., Ltd.+86-02156500520 +86-18116101847 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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