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| CAS No.: | 998-93-6 |
|---|---|
| Name: | 4-BROMOHEPTANE |
| Article Data: | 15 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H15Br |
| Molecular Weight: | 179.1 |
| Synonyms: | 4-Bromoheptane;4-Heptyl bromide; |
| EINECS: | 213-653-3 |
| Density: | 1.136 g/cm3 |
| Melting Point: | -4.55°C (estimate) |
| Boiling Point: | 168 °C at 760 mmHg |
| Flash Point: | 48.4 °C |
| Solubility: | Miscible with carbon tetrachloride, chloroform and benzene. Immiscible with water. |
| Hazard Symbols: | R10:Flammable.; |
| Risk Codes: | 10 |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 3.35010 |
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Specification
The Heptane, 4-bromo- is an organic compound with the formula C7H15Br. The IUPAC name of this chemical is 4-bromoheptane. With the CAS registry number 998-93-6, it is also named as 4-bromo-heptan. Besides, it should be stored in a closed cool and dry place.
Physical properties about Heptane, 4-bromo- are: (1)ACD/LogP: 4.15; (2)ACD/LogD (pH 5.5): 4.15; (3)ACD/LogD (pH 7.4): 4.15; (4)ACD/BCF (pH 5.5): 842.72; (5)ACD/BCF (pH 7.4): 842.72; (6)ACD/KOC (pH 5.5): 4323.19; (7)ACD/KOC (pH 7.4): 4323.19; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.447; (10)Molar Refractivity: 42.16 cm3; (11)Molar Volume: 157.6 cm3; (12)Polarizability: 16.71×10-24cm3; (13)Surface Tension: 27.2 dyne/cm; (14)Density: 1.136 g/cm3; (15)Flash Point: 48.4 °C; (16)Enthalpy of Vaporization: 38.79 kJ/mol; (17)Boiling Point: 168 °C at 760 mmHg; (18)Vapour Pressure: 2.18 mmHg at 25°C.
Preparation: this chemical can be prepared by heptane. This reaction will need reagent Br2 and MnO2. The reaction time is 20 min with reaction temperature of 60 °C. The yield is about 48%.
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Uses of Heptane, 4-bromo-: it can be used to produce 4-nitro-heptane. It will need reagent sodium nitrite.
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When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. When you are using it, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(CCC)CCC
(2)InChI: InChI=1/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
(3)InChIKey: BNUTXEKPXPZAIT-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
(5)Std. InChIKey: BNUTXEKPXPZAIT-UHFFFAOYSA-N