Pentane,2-bromo-4-methyl- supplier

Name
2-BROMO-4-METHYLPENTANE
EINECS 250-123-0
CAS No. 30310-22-6
Article Data17
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point -94.2°C
Formula C₆H₁₃Br
Boiling Point 135.1 °C at 760 mmHg
Molecular Weight 165.073
Flash Point 33.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-4-methylpentane;4-Methyl-2-pentyl bromide;Pentane, 2-bromo-4-methyl-;
PSA 0.00000
LogP 2.81590

Pentane,2-bromo-4-methyl- Specification

The Pentane,2-bromo-4-methyl-, with the CAS registry number 30310-22-6 and EINECS registry number 250-123-0, has the systematic name of 2-bromo-4-methylpentane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₁₃Br.

The characteristics of Pentane,2-bromo-4-methyl- are 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): 241.02; (6)ACD/BCF (pH 7.4): 241.02; (7)ACD/KOC (pH 5.5): 1764.72; (8)ACD/KOC (pH 7.4): 1764.72; (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: 1.442; (14)Molar Refractivity: 37.49 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 14.86×10^-24cm³; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 33.9 °C; (20)Enthalpy of Vaporization: 35.72 kJ/mol; (21)Boiling Point: 135.1 °C at 760 mmHg; (22)Vapour Pressure: 9.67 mmHg at 25°C.

Uses of Pentane,2-bromo-4-methyl-: It can react with phthalimide; potassium salt to produce 2-(1,3-dimethyl-butyl)-isoindole-1,3-dione. This reaction will need menstruum dimethylformamide. The reaction time is 1 hours with heating, and the yield is about 51%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrC(C)CC(C)C
(2)InChI: InChI=1/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3
(3)InChIKey: IUXIOXCOPJFKMQ-UHFFFAOYAG

Product Name

2-BROMO-4-METHYLPENTANE

Pentane,2-bromo-4-methyl- Specification

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