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Name |
Pentane,2-bromo-4-methyl- |
EINECS | 250-123-0 |
CAS No. | 30310-22-6 | Density | 1.166 g/cm3 |
PSA | 0.00000 | LogP | 2.81590 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-4-methylpentane;4-Methyl-2-pentyl bromide;Pentane, 2-bromo-4-methyl-; |
Article Data | 17 |
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