3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile
Properties
- Molecular formula
- C4H4F3NO
- Molar mass
- 139.08 g/mol
- Exact mass
- 139.0245 Da
- logP
- 0.82Crippen estimate
- Polar surface area
- 44.0 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor87.5% of notifiers
- H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled12.5% of notifiers
- H300 Fatal if swallowed87.5% of notifiers
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled12.5% of notifiers
- H310 Fatal in contact with skin87.5% of notifiers
- H315 Causes skin irritation25% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H330 Fatal if inhaled87.5% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
- H400 Very toxic to aquatic life75% of notifiers
- H410 Very toxic to aquatic life with long lasting effects75% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
335-08-0SMILES
CC(C#N)(C(F)(F)F)OInChIKey
XDCMNDCKYSQKAX-UHFFFAOYSA-NInChI
InChI=1S/C4H4F3NO/c1-3(9,2-8)4(5,6)7/h9H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1,1,1-Trifluoroacetone cyanohydrin
Work with 3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile
Similar compounds
Acetone cyanohydrin75-86-540 % similar
1,1,1-Trifluoro-2-methylpropan-2-ol507-52-836 % similar
2,2,3,3,4,4,4-Heptafluorobutanenitrile375-00-836 % similar
Trifluoroacetonitrile353-85-533 % similar
Pivalonitrile630-18-233 % similar
Methoxyphenyl(trifluoromethyl)acetonitrile80866-87-131 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.