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| CAS No.: | 513-36-0 |
|---|---|
| Name: | 1-Chloro-2-methylpropane |
| Article Data: | 95 |
| Molecular Structure: | |
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|
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| Formula: | C4H9Cl |
| Molecular Weight: | 92.5685 |
| Synonyms: | 1-Chloro-2-methylpropane;2-Chloromethylpropane;2-Methyl-1-chloropropane;2-Methylpropyl chloride; |
| EINECS: | 208-157-9 |
| Density: | 0.87 g/cm3 |
| Melting Point: | -131 °C(lit.) |
| Boiling Point: | 69.2 °C at 760 mmHg |
| Flash Point: | 21.1 °C |
| Solubility: | 28 mg/l (20 °C) in water |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F
|
| Risk Codes: | 11 |
| Safety: | 16-9-33-29 |
| Transport Information: | UN 1127 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 1.88120 |
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Specification
The Isobutyl chloride is an organic compound with the formula C4H9Cl. The IUPAC name of this chemical is 1-chloro-2-methylpropane. With the CAS registry number 513-36-0, it is also named as 2-Methyl-2-propyl chloride. The product's category is Organics. Besides, it is a clear colourless liquid, which should be stored in cool dry and well-ventilated place. It is used as the medicine raw material, the plasticizer, the resolver, pesticide raw material, the dewaxing agent and the analysis chemical reagent. It is also used as the propylene polyreaction catalyst component, the organic synthesis and the resolver.
Physical properties about Isobutyl chloride are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.87; (5)ACD/BCF (pH 7.4): 37.87; (6)ACD/KOC (pH 5.5): 469.16; (7)ACD/KOC (pH 7.4): 469.16; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.393; (10)Molar Refractivity: 25.38 cm3; (11)Molar Volume: 106.3 cm3; (12)Polarizability: 10.06×10-24cm3; (13)Surface Tension: 20.8 dyne/cm; (14)Density: 0.87 g/cm3; (15)Flash Point: 21.1 °C; (16)Enthalpy of Vaporization: 29.22 kJ/mol; (17)Boiling Point: 69.2 °C at 760 mmHg; (18)Vapour Pressure: 147 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-propan-1-ol. This reaction will need reagent phosphorus trichloride.
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Uses of Isobutyl chloride: it can be used to produce isobutyllithium. It will need reagent petroleum ether and lithium.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable. Please keep container in a well-ventilated place and keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you are using it, take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(C)C
(2)InChI: InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
(3)InChIKey: QTBFPMKWQKYFLR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
(5)Std. InChIKey: QTBFPMKWQKYFLR-UHFFFAOYSA-N