Heptane,1-bromo-6-methyl- supplier

Name
1-BROMO-6-METHYLHEPTANE
EINECS
CAS No. 52648-04-1
Article Data8
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point
Formula C₈H₁₇Br
Boiling Point 190.8 °C at 760 mmHg
Molecular Weight 193.127
Flash Point 56.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bromo-iso-octane;
PSA 0.00000
LogP 3.59770

Heptane,1-bromo-6-methyl- Specification

The Heptane,1-bromo-6-methyl-, with the CAS registry number 52648-04-1, is also known as Bromo-iso-octane. This chemical's molecular formula is C₈H₁₇Br and molecular weight is 193.1246. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-6-methylheptane.

Physical properties about Heptane,1-bromo-6-methyl- are: (1)ACD/LogP: 4.68; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2135.54; (6)ACD/BCF (pH 7.4): 2135.54; (7)ACD/KOC (pH 5.5): 8411.21; (8)ACD/KOC (pH 7.4): 8411.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 46.8 cm³; (15)Molar Volume: 174.1 cm³; (16)Surface Tension: 27.8 dyne/cm; (17)Density: 1.108 g/cm³; (18)Flash Point: 56.1 °C; (19)Enthalpy of Vaporization: 40.95 kJ/mol; (20)Boiling Point: 190.8 °C at 760 mmHg; (21)Vapour Pressure: 0.739 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCC(C)C
(2) InChI: InChI=1/C8H17Br/c1-8(2)6-4-3-5-7-9/h8H,3-7H2,1-2H3
(3) InChIKey: BFYPQDKZLOZOLQ-UHFFFAOYAZ

Product Name

1-BROMO-6-METHYLHEPTANE

Heptane,1-bromo-6-methyl- Specification

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