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Pentane,1,5-dibromo-3-methyl-

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Name

Pentane,1,5-dibromo-3-methyl-

EINECS N/A
CAS No. 4457-72-1 Density 1.58 g/cm3
PSA 0.00000 LogP 3.19250
Solubility Insoluble in water. Melting Point N/A
Formula C6H12Br2 Boiling Point 232.5 °C at 760 mmHg
Molecular Weight 243.969 Flash Point 101.3 °C
Transport Information N/A Appearance Clear colourless liquid
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4457-72-1 (1,5-DIBROMO-3-METHYLPENTANE) Hazard Symbols IrritantXi
Synonyms

1,5-Dibromo-3-methylpentane;3-Methyl-1,5-dibromopentane;NSC 27967;

Article Data 18

Pentane,1,5-dibromo-3-methyl- Specification

The CAS register number of Pentane,1,5-dibromo-3-methyl- is 4457-72-1. It also can be called as 3-Methyl-1,5-dibromopentane and the IUPAC name about this chemical is 1,5-dibromo-3-methylpentane. The molecular formula about this chemical is C6H12Br2 and the molecular weight is 243.97.

Physical properties about Pentane,1,5-dibromo-3-methyl- are: (1)ACD/LogP: 3.48; (2)ACD/LogD (pH 5.5): 3.48; (3)ACD/LogD (pH 7.4): 3.48; (4)ACD/BCF (pH 5.5): 260.86; (5)ACD/BCF (pH 7.4): 260.86; (6)ACD/KOC (pH 5.5): 1867.52; (7)ACD/KOC (pH 7.4): 1867.52; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.498; (10)Molar Refractivity: 45.26 cm3; (11)Molar Volume: 154.3 cm3; (12)Polarizability: 17.94x10-24cm3; (13)Surface Tension: 33.9 dyne/cm; (14)Density: 1.58 g/cm3; (15)Flash Point: 101.3 °C; (16)Enthalpy of Vaporization: 45.01 kJ/mol; (17)Boiling Point: 232.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0896 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-methyl-pentane-1,5-diol. This reaction will need reagent of PBr3.

Uses of Pentane,1,5-dibromo-3-methyl-: it can be used to produce 1,5-diiodo-3-methyl-pentane. This reaction is a kind of substitution. This reaction will need reagent of NaI and solvent of acetone. This reaction needs heating. The reaction time is 3 hours. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, avoid contact with skin and eyes. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCC(C)CCBr
(2)InChI: InChI=1/C6H12Br2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3
(3)InChIKey: YDPZWUMQKMLLHC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H12Br2/c1-6(2-4-7)3-5-8/h6H,2-5H2,1H3
(5)Std. InChIKey: YDPZWUMQKMLLHC-UHFFFAOYSA-N

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