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Hexane, 1,2-dibromo-

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Name

Hexane, 1,2-dibromo-

EINECS N/A
CAS No. 624-20-4 Density 1.58 g/cm3
PSA 0.00000 LogP 3.33500
Solubility N/A Melting Point N/A
Formula C6H12Br2 Boiling Point 210.7 °C at 760 mmHg
Molecular Weight 243.969 Flash Point 83.2 °C
Transport Information N/A Appearance clear slightly yellow liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 624-20-4 (1,2-DIBROMOHEXANE) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

1,2-Dibromohexane;

Article Data 5

Hexane, 1,2-dibromo- Specification

This chemical is called Hexane, 1,2-dibromo-, and its CAS registry number is 624-20-4. With the molecular formula of C6H12Br2, its molecular weight is 243.97. Additionally, its product categories are Bromine Compounds; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks.

Other characteristics of the Hexane, 1,2-dibromo- can be summarised as followings: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 670.17; (6)ACD/BCF (pH 7.4): 670.17; (7)ACD/KOC (pH 5.5): 3669.33; (8)ACD/KOC (pH 7.4): 3669.33; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 45.26 cm3; (15)Molar Volume: 154.3 cm3; (16)Polarizability: 17.94×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.58 g/cm3; (19)Flash Point: 83.2 °C; (20)Enthalpy of Vaporization: 42.87 kJ/mol; (21)Boiling Point: 210.7 °C at 760 mmHg; (22)Vapour Pressure: 0.275 mmHg at 25°C.

Production method of this chemical: The Hexane, 1,2-dibromo- could be obtained by the reactant of hex-1-ene. This reaction needs the reagent of NaBr, NaBO3*4H2O, and the solvent of acetic acid. The yield is 81 %.

Uses of this chemical: The hex-1-ene could be obtained by the reactant of Hexane, 1,2-dibromo-. This reaction needs the reagent of EtMgBr, NidppeCl2, and the solvent of tetrahydrofuran. The yield is 100 %. This reaction should be taken at the temperature of 0 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: BrC(CCCC)CB
2.InChI: InChI=1/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
3.InChIKey: NUUUANNAZVEWHM-UHFFFAOYAF

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