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| CAS No.: | 594-36-5 |
|---|---|
| Name: | 2-CHLORO-2-METHYLBUTANE |
| Article Data: | 103 |
| Molecular Structure: | |
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|
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| Formula: | C5H11Cl |
| Molecular Weight: | 106.595 |
| Synonyms: | 1,1-Dimethylpropylchloride;NSC 7900;tert-Amylchloride;tert-Pentyl chloride; |
| EINECS: | 209-836-2 |
| Density: | 0.87 g/cm3 |
| Melting Point: | ?73 °C(lit.) |
| Boiling Point: | 86.884 °C at 760 mmHg |
| Flash Point: | 3.367 °C |
| Solubility: | Soluble in ethanol, ethyl ether. Insoluble in water. |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.41380 |
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- Total:27 Page 1 of 1 1
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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.
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.
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