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CAS No.: | 1974-04-5 |
---|---|
Name: | 2-Bromoheptane |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C7H15Br |
Molecular Weight: | 179.1 |
Synonyms: | (?à)-2-Bromoheptane;2-Bromoheptane;2-Heptyl bromide;NSC 11768; |
EINECS: | 217-824-3 |
Density: | 1.136 g/cm3 |
Melting Point: | 47°C |
Boiling Point: | 168 °C at 760 mmHg |
Flash Point: | 47.2 °C |
Appearance: | COA |
Hazard Symbols: | Xi |
Risk Codes: | 10-36/37/38 |
Safety: | 16-26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.35010 |
The 2-Bromoheptane is an organic compound with the formula C7H15Br. The IUPAC name of this chemical is 2-bromoheptane. With the CAS registry number 1974-04-5, it is also named as 1-Methylhexyl bromide. Besides, it should be stored in a closed darl and dry place.
Physical properties about 2-Bromoheptane 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: 47.2 °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, MnO2. The reaction time is 20 min with reaction temperature of 60 °C. The yield is about 48%.
Uses of 2-Bromoheptane: it can be used to produce heptan-2-ol at room temperature. It will need reagent NaHCO3 and solvent tetrahydrofuran with reaction time of 1 hour. The yield is about 77%.
When you are using this chemical, please be cautious about it as the following:
It is flammable. PLease keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact 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(C)CCCCC
(2)InChI: InChI=1/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
(3)InChIKey: HLAUCEOFCOXKNF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3
(5)Std. InChIKey: HLAUCEOFCOXKNF-UHFFFAOYSA-N