CAS No.624-20-4,1,2-DIBROMOHEXANE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	624-20-4
Name:	1,2-DIBROMOHEXANE
Article Data:	5

Formula:	C₆H₁₂Br₂
Molecular Weight:	243.969
Synonyms:	1,2-Dibromohexane;
Density:	1.58 g/cm³
Boiling Point:	210.7 °C at 760 mmHg
Flash Point:	83.2 °C
Appearance:	clear slightly yellow liquid
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	3.33500

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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