Octane, 4-bromo- supplier | CasNO.999-06-4

Name
4-BROMOOCTANE
EINECS 213-655-4
CAS No. 999-06-4
Article Data11
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 4-Bromooctane;4-Octyl bromide;
PSA 0.00000
LogP 3.74020

Octane, 4-bromo- Specification

The Octane, 4-bromo- is an organic compound with the formula C₈H₁₇Br. The IUPAC name of this chemical is 4-bromooctane. With the CAS registry number 999-06-4, it is also named as 4-bromo-octan.

Physical properties about Octane, 4-bromo- are: (1)ACD/LogP: 4.68; (2)ACD/LogD (pH 5.5): 4.68; (3)ACD/LogD (pH 7.4): 4.68; (4)ACD/BCF (pH 5.5): 2135.54; (5)ACD/BCF (pH 7.4): 2135.54; (6)ACD/KOC (pH 5.5): 8411.21; (7)ACD/KOC (pH 7.4): 8411.21; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.45; (10)Molar Refractivity: 46.8 cm³; (11)Molar Volume: 174.1 cm³; (12)Polarizability: 18.55×10^-24cm³; (13)Surface Tension: 27.8 dyne/cm; (14)Density: 1.108 g/cm³; (15)Flash Point: 56.1 °C; (16)Enthalpy of Vaporization: 40.95 kJ/mol; (17)Boiling Point: 190.8 °C at 760 mmHg; (18)Vapour Pressure: 0.739 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(CCC)CCCC
(2)InChI: InChI=1/C8H17Br/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3
(3)InChIKey: FDODEDHSASFCSW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H17Br/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3
(5)Std. InChIKey: FDODEDHSASFCSW-UHFFFAOYSA-N

Product Name

4-BROMOOCTANE

Octane, 4-bromo- Specification

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