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| CAS No.: | 108-08-7 |
|---|---|
| Name: | 2,4-DIMETHYLPENTANE |
| Article Data: | 108 |
| Molecular Structure: | |
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|
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| Formula: | C7H16 |
| Molecular Weight: | 100.204 |
| Synonyms: | 2,4-Dimethylpentane;NSC 61989;Diisopropylmethane; |
| EINECS: | 203-548-0 |
| Density: | 0.692 g/cm3 |
| Melting Point: | -123 °C(lit.) |
| Boiling Point: | 80.494 °C at 760 mmHg |
| Flash Point: | -12.222 °C |
| Solubility: | 4.41mg/L(25 oC) |
| Hazard Symbols: |
 Xn, F, N
|
| Risk Codes: | 11-38-50/53-65-67 |
| Safety: | 9-16-29-33-60-61-62 |
| Transport Information: | UN 3295 |
| PSA: | 0.00000 |
| LogP: | 2.68850 |
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Specification
The Pentane, 2,4-dimethyl-, with the CAS registry number 108-08-7, is also known as Diisopropylmethane. It belongs to the product categories of Acyclic; Alkanes; Organic Building Blocks; Alphabetic; D; DID - DIN Chemical Class; Hydrocarbons; Neats. Its EINECS number is 203-548-0. This chemical's molecular formula is C7H16 and molecular weight is 100.2. What's more, its systematic name is 2,4-dimethylpentane. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides, acids, halogens, heat and fire. It is mainly used in organic synthesis. It is not only used for synthesizing WeiNiGuan, but also used in binder and coating industry. Besides, it is used for synthesizing resin fiber. It is also used as intermediates and adhesives in oil drop coagulation thickener .
Physical properties of Pentane, 2,4-dimethyl- are: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/BCF (pH 5.5): 778.63; (5)ACD/KOC (pH 5.5): 4085.21; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.39; (8)Molar Refractivity: 34.39 cm3; (9)Molar Volume: 144.8 cm3; (10)Surface Tension: 19.7 dyne/cm; (11)Density: 0.691 g/cm3; (12)Enthalpy of Vaporization: 29.55 kJ/mol; (13)Boiling Point: 80.5 °C at 760 mmHg; (14)Vapour Pressure: 94.5 mmHg at 25°C.
Uses of Pentane, 2,4-dimethyl-: it can be used to produce 5-(2,4-dimethyl-2-pentyl)-benzene-1,2,4-tricarbonitrile. It will need solvent acetonitrile with the reaction time of 2 hours. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to skin. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. Its vapours may cause drowsiness and dizziness. You must keep the container in a well-ventilated place and not empty it into drains. You should take precautionary measures against static discharges. This material and its container must be disposed of as hazardous waste. It should be avoided releasing to the environment just refering to special instructions/safety data sheet. If swallowed, it will not induce vomiting, but you must seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(C)C
(2)InChI: InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
(3)InChIKey: BZHMBWZPUJHVEE-UHFFFAOYSA-N