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2-Chloro-2-methylbutane

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Name

2-Chloro-2-methylbutane

EINECS 209-836-2
CAS No. 594-36-5 Density 0.87 g/cm3
PSA 0.00000 LogP 2.41380
Solubility Soluble in ethanol, ethyl ether. Insoluble in water. Melting Point ?73 °C(lit.)
Formula C5H11Cl Boiling Point 86.884 °C at 760 mmHg
Molecular Weight 106.595 Flash Point 3.367 °C
Transport Information UN 1993 3/PG 2 Appearance colourless liquid
Safety 16-26-36 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 594-36-5 (2-CHLORO-2-METHYLBUTANE) Hazard Symbols FlammableF,IrritantXi
Synonyms

1,1-Dimethylpropylchloride;NSC 7900;tert-Amylchloride;tert-Pentyl chloride;

Article Data 103

2-Chloro-2-methylbutane Specification

The 2-Chloro-2-methylbutane, with the CAS registry number 594-36-5, is also known as Tertiary pentyl chloride. It belongs to the product category of Organics. Its EINECS registry number is 209-836-2. This chemical's molecular formula is C5H11Cl and molecular weight is 106.59. What's more, its IUPAC name is the same with its product name. It should be stored at a cold and dry place. This chemical is an alkyl chloride used for flavoring and odorizing.

Physical properties about 2-Chloro-2-methylbutane are: (1)ACD/LogP: 2.897; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.90; (4)ACD/LogD (pH 7.4): 2.90; (5)ACD/BCF (pH 5.5): 93.63; (6)ACD/BCF (pH 7.4): 93.63; (7)ACD/KOC (pH 5.5): 896.91; (8)ACD/KOC (pH 7.4): 896.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.405; (14)Molar Refractivity: 30.028 cm3; (15)Molar Volume: 122.502 cm3; (16)Polarizability: 11.904×10-24cm3; (17)Surface Tension: 21.771 dyne/cm; (18)Density: 0.87 g/cm3; (19)Flash Point: 3.367 °C; (20)Enthalpy of Vaporization: 31.356 kJ/mol; (21)Boiling Point: 86.884 °C at 760 mmHg; (22)Vapour Pressure: 73.269 mmHg at 25 °C.

Preparation of 2-Chloro-2-methylbutane: this chemical can be prepared by 2-methyl-butan-2-ol. This reaction needs reagent BiCl3 and solvent CCl4 at temperature of 25 °C. The reaction time is 5 min.

2-Chloro-2-methylbutane can be prepared by 2-methyl-butan-2-ol.

Uses of 2-Chloro-2-methylbutane: (1) it is used as intermediates; (2) it is used to produce other chemicals. For example, it can react with 4-methyl-phenol to get 4-Methyl-2-tert-pentyl-phenol. The reaction occurs with reagent AlCl3 at temperature of 50 °C. The reaction time is 30 min.

2-Chloro-2-methylbutane can react with 4-methyl-phenol to get 4-Methyl-2-tert-pentyl-phenol.

When you are dealing with this chemical, you should be very careful. This chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It may cause inflammation to the skin or other mucous membranes and it is highly flammable. In addition, it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing and keep it away from sources of ignition. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C)(C)CC
(2) InChI: InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3
(3) InChIKey: CRNIHJHMEQZAAS-UHFFFAOYSA-N

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