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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777073Generated: October 31, 2026

2-Hydroxy-2-(trifluoromethyl)butanenitrile

2-Hydroxy-2-(trifluoromethyl)butanenitrile · Butanenitrile, 2-hydroxy-2-(trifluoromethyl)- · 1,1,1-TRIFLUORO-2-CYANO-2-BUTANOL PLEASE INQUIRE

https://huagongshe.com/en/chemical/2777073

2-Hydroxy-2-(trifluoromethyl)butanenitrile molecular structure

Identifiers & Physical Properties

CAS No.203302-91-4
Molecular formulaC5H6F3NO
Average molar mass153.1 g/mol
Monoisotopic mass153.0401483 g/mol
SMILESCCC(O)(C#N)C(F)(F)F
InChIKeyMFDZRGPBIWWYFA-UHFFFAOYSA-N
PubChem CID2777073
DTXSIDDTXSID70380361

Chemical & Physical Properties

XLogP1.2
Topological polar surface area44
Hydrogen bond donors1
Hydrogen bond acceptors5
Rotatable bonds1
Heavy atoms10
Formal charge0
Complexity167
Boiling point206.6±40.0 °C(Predicted)
Density1.293±0.06 g/cm3(Predicted)
pKa (acidity coefficient)8.67±0.29(Predicted)
GHS pictogramGHS06
Signal wordDanger
GHS hazard statementsH302-H312-H315-H319-H335
GHS precautionary statementsP262-P280-P301+P310-P304+P340-P305+P351+P338-P310
UN transport numberUN2810
Hazard class6.1
Limited quantities5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

UN transport numberUN2810
Signal wordDanger
GHS pictogramGHS06
Hazard class6.1
GHS hazard statementsH302-H312-H315-H319-H335
Limited quantities5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
GHS precautionary statementsP262-P280-P301+P310-P304+P340-P305+P351+P338-P310