Basic information
- Name:
2-Butanone,1,1,1-trifluoro-
- Superlist Name:
- 1,1,1-Trifluorobutan-2-one
- CAS No.:
381-88-4
- Molecular Structure:
- Formula:
- C4H5F3O
- Molecular Weight:
- 126.0771
- Synonyms:
- 1,1,1-Trifluoro-2-butanone;Ethyl trifluoromethyl ketone;NSC 42602;
- Density:
- 1.166 g/cm3
- Boiling Point:
- 45.4 °C at 760 mmHg
- Hazard Symbols:
F; 
Xi- Risk Codes:
- 11
- Safety Description:
- 9-16-29-33 Details
- Transport Information:
- UN 1993
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Specification
The 2-Butanone,1,1,1-trifluoro-, with CAS registry number 381-88-4, belongs to the following product categories: (1)API intermediates; (2)C3 to C6; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1,1,1-trifluorobutan-2-one. And the chemical formula of this chemical is C4H5F3O.
Physical properties of 2-Butanone,1,1,1-trifluoro-: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.313; (8)Molar Refractivity: 21.06 cm3; (9)Molar Volume: 108 cm3; (10)Polarizability: 8.35×10-24cm3; (11)Surface Tension: 17.1 dyne/cm; (12)Density: 1.166 g/cm3; (13)Enthalpy of Vaporization: 28.94 kJ/mol; (14)Boiling Point: 45.4 °C at 760 mmHg; (15)Vapour Pressure: 349 mmHg at 25°C.
Uses of 2-Butanone,1,1,1-trifluoro-: it can be used to produce 3,3-dibromo-1,1,1-trifluoro-butan-2-one. This reaction will need reagents sodium acetate, acetic acid, bromine.
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When you are using this chemical, please be cautious about it as the following:
The 2-Butanone,1,1,1-trifluoro- is highly flammable, so keep it away from sources of ignition. And you should keep its container in a well-ventilated place. And do not empty it into drains. You should take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)CC
(2)InChI: InChI=1/C4H5F3O/c1-2-3(8)4(5,6)7/h2H2,1H3
(3)InChIKey: QBVHMPFSDVNFAY-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C4H5F3O/c1-2-3(8)4(5,6)7/h2H2,1H3
(5)Std. InChIKey: QBVHMPFSDVNFAY-UHFFFAOYSA-N
