Products Categories
| CAS No.: | 421-06-7 |
|---|---|
| Name: | 2-Bromo-1,1,1-trifluoroethane |
| Molecular Structure: | |
|
|
|
| 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 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
- Total:35 Page 1 of 1 1
What can I do for you?
Get Best Price
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](/UserFilesUpload/Use of 2-Bromo-1,1,1-trifluoroethane.png)
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. |