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Isobutyl chloride

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Name

Isobutyl chloride

EINECS 208-157-9
CAS No. 513-36-0 Density 0.87 g/cm3
PSA 0.00000 LogP 1.88120
Solubility 28 mg/l (20 °C) in water Melting Point -131 °C(lit.)
Formula C4H9Cl Boiling Point 69.2 °C at 760 mmHg
Molecular Weight 92.5685 Flash Point 21.1 °C
Transport Information UN 1127 3/PG 2 Appearance clear colourless liquid
Safety 16-9-33-29 Risk Codes 11
Molecular Structure Molecular Structure of 513-36-0 (1-Chloro-2-methylpropane) Hazard Symbols FlammableF
Synonyms

1-Chloro-2-methylpropane;2-Chloromethylpropane;2-Methyl-1-chloropropane;2-Methylpropyl chloride;

Article Data 95

Isobutyl chloride 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.



Uses of Isobutyl chloride: it can be used to produce isobutyllithium. It will need reagent petroleum ether and lithium.

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

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