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CAS No.: | 2074-80-8 |
---|---|
Name: | 2-BROMO-1-CHLORO-2-METHYLPROPANE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C4H8BrCl |
Molecular Weight: | 171.465 |
Synonyms: | 2-Bromo-1-chloro-2-methylpropane; |
Density: | 1.438 g/cm3 |
Boiling Point: | 129.5 °C at 760 mmHg |
Flash Point: | 45.2 °C |
Risk Codes: | 10-36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1993 |
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The 2-Bromo-1-chloro-2-methyl-propane, with the CAS registry number 2074-80-8, is also known as Propane, 2-bromo-1-chloro-2-methyl-. This chemical's molecular formula is C4H8BrCl and molecular weight is 171.46. What's more, its IUPAC name is 2-Bromo-1-chloro-2-methylpropane. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from contact with oxidant.
hysical properties about 2-Bromo-1-chloro-2-methyl-propane are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.46; (6)ACD/BCF (pH 7.4): 33.46; (7)ACD/KOC (pH 5.5): 429.45; (8)ACD/KOC (pH 7.4): 429.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 33.12 cm3; (15)Molar Volume: 119.1 cm3; (16)Polarizability: 13.13×10-24 cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 45.2 °C; (20)Enthalpy of Vaporization: 35.2 kJ/mol; (21)Boiling Point: 129.5 °C at 760 mmHg; (22)Vapour Pressure: 12.4 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC(C)(C)CCl
(2) InChI: InChI=1/C4H8BrCl/c1-4(2,5)3-6/h3H2,1-2H3
(3) InChIKey: YEZMNTBSGDUYBT-UHFFFAOYAS