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CAS No.: | 431-34-5 |
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Name: | 3-BROMO-1,1,1-TRIFLUORO-2-PROPANOL |
Molecular Structure: | |
Formula: | C3H4BrF3O |
Molecular Weight: | 192.96 |
Synonyms: | 3-Bromo-1,1,1-trifluoro-2-propanol;3-Bromo-1,1,1-trifluoropropan-2-ol;NSC 3631; |
Density: | 1.828 g/cm3 |
Boiling Point: | 155 °C at 760 mmHg |
Flash Point: | 47.5 °C |
Appearance: | Colorless to yellow clear liquid |
Hazard Symbols: | Xi,F |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 20.23000 |
LogP: | 1.30450 |
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The 2-Propanol,3-bromo-1,1,1-trifluoro-, with the CAS registry number 431-34-5, is also known as 3-Bromo-1,1,1-trifluoro-2-propanol. It belongs to the product categories of Alcohols; C2 to C6; Oxygen Compounds. This chemical's molecular formula is C3H4BrF3O and molecular weight is 192.96. What's more, its systematic name is 3-Bromo-1,1,1-trifluoropropan-2-ol. The product should be sealed and stored in containers which are placed in cool, ventilated and dry places. It should be ensured that the workshop is well ventilated or equipped with exhaust device.
Physical properties of 2-Propanol,3-bromo-1,1,1-trifluoro- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.4; (8)Molar Refractivity: 25.62 cm3; (9)Molar Volume: 105.5 cm3; (10)Polarizability: 10.16×10-24 cm3; (11)Surface Tension: 27.3 dyne/cm; (12)Density: 1.828 g/cm3; (13)Flash Point: 47.5 °C; (14)Enthalpy of Vaporization: 45.63 kJ/mol; (15)Boiling Point: 155 °C at 760 mmHg; (16)Vapour Pressure: 1.13 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(F)(F)F)O)Br
(2)InChI: InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2
(3)InChIKey: VBHIIZIQRDVGDH-UHFFFAOYSA-N