2,5-Difluoro-4-(trifluoromethyl)benzonitrile
Basic information
- CAS
261945-24-8- Standard SMILES
N#Cc1cc(F)c(C(F)(F)F)cc1F- InChIKey
UIUJARXSZPKAQW-UHFFFAOYSA-N- Molecular formula
- C8H2F5N
- Average molar mass
- 207.1 g/mol
- Monoisotopic mass
- 207.01073988
Names & identifiers
- Preferred name
- 2,5-Difluoro-4-(trifluoromethyl)benzonitrile
- IUPAC
- 2,5-difluoro-4-(trifluoromethyl)benzonitrile
- English name
- 2,5-Difluoro-4-(trifluoromethyl)benzonitrile
- Molecular formula
- C8H2F5N
- Molecular weight
- 207.1
Names & synonyms
2,5-Difluoro-4-(trifluoromethyl)benzonitrile261945-24-8RefChem:444381827-805-7MFCD01631622AKOS027345006AS-43947SY243252CS-0102043EN300-736047F538841Benzonitrile, 2,5-difluoro-4-(trifluoromethyl)-
Database identifiers
- CAS
261945-24-8- PubChem CID
- 92017355
- EC Number
- 827-805-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 194.4 · 194.4±40.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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