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3377-86-4

Basic Information
CAS No.: 3377-86-4
Name: 2-BROMOHEXANE
Article Data: 45
Molecular Structure:
Molecular Structure of 3377-86-4 (2-BROMOHEXANE)
Formula: C6H13 Br
Molecular Weight: 165.073
Synonyms: (?à)-2-Bromohexane;1-Methylpentan-1-yl bromide;2-Bromohexane;2-Hexyl bromide;
EINECS: 222-173-3
Density: 1.169 g/cm3
Melting Point: -44.22°C (estimate)
Boiling Point: 144 °C at 760 mmHg
Flash Point: 40.1 °C
Solubility: Not miscible in water.
Appearance: Clear pale yellow liquid
Hazard Symbols: R10:Flammable.;
Risk Codes: 10
Safety: 23-24/25
Transport Information: UN1993
PSA: 0.00000
LogP: 2.96000
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Specification

The 2-Bromohexane with the CAS number 3377-86-4 is also called Hexane, 2-bromo-. Its EINECS registry number is 222-173-3. The molecular formula is C6H13Br. This chemical is clear pale yellow liquid. It is a kind of organics.

The properties of the chemical are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 332.55; (6)ACD/BCF (pH 7.4): 332.55; (7)ACD/KOC (pH 5.5): 2222.03; (8)ACD/KOC (pH 7.4): 2222.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 37.53 cm3; (15)Molar Volume: 141.1 cm3; (16)Polarizability: 14.88×10-24cm3; (17)Surface Tension: 26.5 dyne/cm; (18)Enthalpy of Vaporization: 36.54 kJ/mol; (19)Vapour Pressure: 6.54 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is flammable. Therefore, you should take the following instructions. Firstly, you should not breathe vapour. Then you should avoid this chemical contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C)CCCC
(2)InChI: InChI=1/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
(3)InChIKey: NEBYCXAKZCQWAW-UHFFFAOYAX