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| CAS No.: | 4457-72-1 |
|---|---|
| Name: | 1,5-DIBROMO-3-METHYLPENTANE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C6H12Br2 |
| Molecular Weight: | 243.969 |
| Synonyms: | 1,5-Dibromo-3-methylpentane;3-Methyl-1,5-dibromopentane;NSC 27967; |
| Density: | 1.58 g/cm3 |
| Boiling Point: | 232.5 °C at 760 mmHg |
| Flash Point: | 101.3 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 3.19250 |
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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.
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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%.
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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