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| CAS No.: | 15848-22-3 |
|---|---|
| Name: | 5-BROMOPENTYL ACETATE |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C7H13BrO2 |
| Molecular Weight: | 209.083 |
| Synonyms: | 1-Pentanol,5-bromo-, acetate (6CI,7CI,8CI,9CI);1-Acetoxy-5-bromopentane;5-Bromo-1-acetoxypentane;5-Bromo-1-pentanol acetate;5-Bromopentyl acetate; |
| EINECS: | 239-961-8 |
| Density: | 1.3 g/cm3 |
| Boiling Point: | 224.1 °C at 760 mmHg |
| Flash Point: | 111.3 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | clear colorless to light yellow liquid |
| Safety: | 24/25-22 |
| PSA: | 26.30000 |
| LogP: | 2.11470 |
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Specification
The 5-Bromopentyl acetate, with the CAS registry number 15848-22-3, is also known as 1-Acetoxy-5-bromopentane. It belongs to the product categories of C6 to C7; Carbonyl Compounds and Esters. Its EINECS registry number is 239-961-8. This chemical's molecular formula is C7H13BrO2 and molecular weight is 209.08. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromopentyl acetate. This chemical is clear colorless to light yellow liquid.
Physical properties about 5-Bromopentyl acetate are: (1) ACD/LogP: 2.16; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.16; (4) ACD/LogD (pH 7.4): 2.16; (5) ACD/BCF (pH 5.5): 25.96; (6) ACD/BCF (pH 7.4): 25.96; (7) ACD/KOC (pH 5.5): 358.11; (8) ACD/KOC (pH 7.4): 358.11; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.459; (14) Molar Refractivity: 43.98 cm3; (15) Molar Volume: 160.7 cm3; (16) Surface Tension: 33.7 dyne/cm; (17) Density: 1.3 g/cm3; (18) Flash Point: 111.3 °C; (19) Enthalpy of Vaporization: 46.06 kJ/mol; (20) Boiling Point: 224.1 °C at 760 mmHg; (21) Vapour Pressure: 0.0929 mmHg at 25 °C.
Preparation of 5-Bromopentyl acetate: this chemical is prepared by reaction of Tetrahydropyran with Acetyl bromide.
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This reaction needs catalyzer Graphite and solvent 1,2-Dichloro-ethane. The reaction time is 1 hour. The yield is 85 %.
Uses of 5-Bromopentyl acetate: it is used to produce other chemicals. For example, it is used to produce 5-Bromo-pentan-1-ol.
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The reaction occurs with reagent NaOH, H2O and solvent Ethanol. The reaction time is 1 hour. The yield is 89 %.
When you are dealing with this chemical, you should be very careful. This chemical is toxic in contact with skin and if swallowed. In addition, it is harmful if swallowed. Therefore, you should be cautious about it.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCOC(=O)C
(2) InChI: InChI=1/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
(3) InChIKey: JIHJLQWUVZUKCH-UHFFFAOYAS