CAS No.421-06-7,2-Bromo-1,1,1-trifluoroethane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	421-06-7
Name:	2-Bromo-1,1,1-trifluoroethane
Article Data:	16

Formula:	C₂H₂BrF₃
Molecular Weight:	162.937
Synonyms:	1,1,1-Trifluoro-2-bromoethane;1-Bromo-2,2,2-trifluoroethane;2,2,2-Trifluoroethyl bromide;2-Bromo-1,1,1-trifluoroethane;HBFC 133aB1;
EINECS:	207-001-7
Density:	1.788 g/cm³
Melting Point:	-94 °C
Boiling Point:	24.6 °C at 760 mmHg
Flash Point:	-59℃
Hazard Symbols:	Xi
Risk Codes:	21/22-36/38-59
Safety:	26-36/37/39-59
Transport Information:	2810
PSA:	0.00000
LogP:	1.94360

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Specification

The 2-Bromo-1,1,1-trifluoroethane, with the CAS registry number 421-06-7, is also known as 1,1,1-Trifluoro-2-bromoethane. Its EINECS registry number is 207-001-7. This chemical's molecular formula is C₂H₂BrF₃ and molecular weight is 162.9365. What's more, both its IUPAC name and systematic name are the same which is called 2-Bromo-1,1,1-trifluoroethane.

Physical properties about 2-Bromo-1,1,1-trifluoroethane are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.1; (6)ACD/BCF (pH 7.4): 10.1; (7)ACD/KOC (pH 5.5): 182.16; (8)ACD/KOC (pH 7.4): 182.16; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.347; (14)Molar Refractivity: 19.5 cm³; (15)Molar Volume: 91.1 cm³; (16)Polarizability: 7.73×10^-24 cm³; (17)Surface Tension: 17.9 dyne/cm; (18)Density: 1.788 g/cm³; (19)Enthalpy of Vaporization: 25.96 kJ/mol; (20)Boiling Point: 24.6 °C at 760 mmHg; (21)Vapour Pressure: 772 mmHg at 25 °C.

Use of 2-Bromo-1,1,1-trifluoroethane: it is used to produce other chemicals. For example, it is used to produce 1,5-bis-(4-Fluoro-phenyl)-3-(2,2,2-trifluoro-ethylsulfanyl)-1H-[1,2,4]triazole. The reaction occurs with reagent K₂CO₃ and solvent acetone by heating for 5 hours. The yield is 78 %. And the reaction equation is as followed:

2-Bromo-1,1,1-trifluoroethane is used to produce 1,5-bis-(4-Fluoro-phenyl)-3-(2,2,2-trifluoro-ethylsulfanyl)-1H-[1,2,4]triazole

When you are dealing with this chemical, you should be very careful. This chemical is harmful in contact with skin and if swallowed and it is irritating to eyes and skin. In addition, it is dangerous for the ozone layer. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(F)(F)F
(2) InChI: InChI=1/C2H2BrF3/c3-1-2(4,5)6/h1H2
(3) InChIKey: TZNJHEHAYZJBHR-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	240 mg/m³/2H (240000 mg/m³)	BEHAVIORAL: REGIDITY LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Trudy Leningradskogo Sanitarno-Gigienicheskogo Meditsinskogo Instituta. Vol. 111, Pg. 10, 1975.