Basic information
- CAS
203302-91-4- Standard SMILES
CCC(O)(C#N)C(F)(F)F- InChIKey
MFDZRGPBIWWYFA-UHFFFAOYSA-N- Molecular formula
- C5H6F3NO
- Average molar mass
- 153.1 g/mol
- Monoisotopic mass
- 153.0401483
Names & identifiers
- Preferred name
- 2-Hydroxy-2-(trifluoromethyl)butanenitrile
- IUPAC
- 2-hydroxy-2-(trifluoromethyl)butanenitrile
- English name
- 1,1,1-TRIFLUORO-2-CYANO-2-BUTANOL PLEASE INQUIRE
- Molecular formula
- C5H6F3NO
- Molecular weight
- 153.1
Names & synonyms
203302-91-42-hydroxy-2-(trifluoromethyl)butanenitrile1,1,1-Trifluoro-2-butanone cyanohydrin2-Hydroxy-2-(trifluoromethyl)butyronitrileButanenitrile, 2-hydroxy-2-(trifluoromethyl)-MFCD00236720SCHEMBL998630DTXSID703803611,1,1-Trifluoro-2-cyanobutan-2-olAKOS0062290993,3,3-trifluoro-2-hydroxy-2-ethylpropiononitrileF001575
Show more names
1,1,1-TRIFLUORO-2-CYANO-2-BUTANOL PLEASE INQUIRE
Database identifiers
- CAS
203302-91-4- PubChem CID
- 2777073
- DTXSID
DTXSID70380361
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 206.6 · 206.6±40.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 8.67 · 8.67±0.29(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H335
- Precautionary statements
- 262 · P262-P280-P301+P310-P304+P340-P305+P351+P338-P310
- RIDADR
- 2810 · UN2810
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
- ridadr
- UN2810
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P262-P280-P301+P310-P304+P340-P305+P351+P338-P310
Chemistry & industry
Suppliers4 total
常州新氟化学有限公司13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
1 records
Compound notes
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