3-Bromo-3-methylpentane supplier

Name
3-BROMO-3-METHYLPENTANE
EINECS 246-878-0
CAS No. 25346-31-0
Article Data4
CAS DataBase
Density 1.172 g/cm³
Solubility
Melting Point -92.2°C
Formula C₆H₁₃Br
Boiling Point 130 °C at 760 mmHg
Molecular Weight 165.073
Flash Point 33.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-3-methyl-pentan;
PSA 0.00000
LogP 2.96000

3-Bromo-3-methylpentane Specification

This chemical is called Pentane, 3-bromo-3-methyl-, and its systematic name is 3-bromo-3-methylpentane. With the molecular formula of C₆H₁₃Br, its molecular weight is 165.07. The CAS registry number of this chemical is 25346-31-0.

Other characteristics of the Pentane, 3-bromo-3-methyl- can be summarised as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 241.91; (6)ACD/BCF (pH 7.4): 241.91; (7)ACD/KOC (pH 5.5): 1769.4; (8)ACD/KOC (pH 7.4): 1769.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 37.54 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 14.88×10^-24cm³; (17)Surface Tension: 26 dyne/cm; (18)Density: 1.172 g/cm³; (19)Flash Point: 33.1 °C; (20)Enthalpy of Vaporization: 35.25 kJ/mol; (21)Boiling Point: 130 °C at 760 mmHg; (22)Vapour Pressure: 12.1 mmHg at 25°C.

Uses of this chemical: The Pentane, 3-bromo-3-methyl- could react with indene, and obtain the 1,4-di-t-butyl-cyclopentadiene and 3-(1-ethyl-1-methyl-propyl)-1H-indene. This reaction needs the reagent of aq. KOH, Aliquat 336, and the yield is 70 %.

You can still convert the following datas into molecular structure:
1.SMILES: BrC(C)(CC)CC
2.InChI: InChI=1/C6H13Br/c1-4-6(3,7)5-2/h4-5H2,1-3H3
3.InChIKey: ZRPQYKLJSOLRPZ-UHFFFAOYAM

Product Name

3-BROMO-3-METHYLPENTANE

3-Bromo-3-methylpentane Specification

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