Benzene, 1,2-difluoro-4-(trifluoromethyl)-
Basic information
- CAS
32137-19-2- Standard SMILES
Fc1ccc(C(F)(F)F)cc1F- InChIKey
MVCGQTYWLZSKSB-UHFFFAOYSA-N- Molecular formula
- C7H3F5
- Average molar mass
- 182.09 g/mol
- Monoisotopic mass
- 182.01549091
Names & identifiers
- Preferred name
- Benzene, 1,2-difluoro-4-(trifluoromethyl)-
- IUPAC
- 1,2-difluoro-4-(trifluoromethyl)benzene
- English name
- 3,4-Difluorobenzotrifluoride
- Molecular formula
- C7H3F5
- Molecular weight
- 182.09
Names & synonyms
1,2-Difluoro-4-(trifluoromethyl)benzeneBenzene, 1,2-difluoro-4-(trifluoromethyl)-RefChem:562255608-708-73,4-Difluorobenzotrifluoride32137-19-2MFCD00077510alpha,alpha,alpha,3,4-PentafluorotolueneSCHEMBL2147584SCHEMBL2348395SCHEMBL17134063SCHEMBL29827588
Show more names
3,4-pentafluorotoluene3,4-difluorotrifluorotolueneà,à,à,3,4-pentafluorotoluene3,4-Difluoronbenzotrifluoride3,4-Difluorobenzotrifluoride98%3,4-Difluorobenzotrifluoride>3,4-Difluorobenzotrifluoride 98%3,4-Difluorobenzotrifluoride, 97+%1,2-Difluor-4-(trifluormethyl)benzol
DTXSID80345229SBB089858AKOS005063452CS-W017133PS-11685SY0323951,2-Difluoro-4-(trifluoromethyl)benzene #D3370
Database identifiers
- CAS
32137-19-2- PubChem CID
- 602797
- DTXSID
DTXSID80345229- EC Number
- 608-708-7
- Nikkaji
- J144.799H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 95 · 95-98 °C
- Boiling point
- 103 · 103-104 °C
- Density
- 1.41 · 1.41
- refractive index
- 1.388 · 1.388-1.392
- Flash point
- 103 · 103-104°C
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- BRN
- 1950149 · 1950149
- InChI
- InChI=1S/C7H3F5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
- InChIKey
- MVCGQTYWLZSKSB-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=C(C(F)(F)F)C=C1F
- CAS DataBase Reference
- 32137 · 32137-19-2(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
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
Danger
H225 (33.3%): Highly Flammable liquid and vapor [Danger 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 9 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. 2 (33.3%)
Safety data
- ridadr
- 1993
- hs_code
- 29039990
- risk_code
- 36/37/38-11
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi-F,F,Xi
- hazard_note
- Flammable
- safety_code
- 37/39-26-16-36
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Chemistry & industry
Applications
Uses3,4-Difluorobenzotrifluoride is a reactant in the preparation of arylacetonitriles.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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