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| CAS No.: | 464-06-2 |
|---|---|
| Name: | 2,2,3-TRIMETHYLBUTANE |
| Molecular Structure: | |
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|
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| Formula: | C7H16 |
| Molecular Weight: | 100.204 |
| Synonyms: | 2,2,3-Trimethylbutane;2,3,3-Trimethylbutane;NSC 73938;Trimethylbutane;Triptan;Triptane; |
| EINECS: | 207-346-3 |
| Density: | 0.693 g/cm3 |
| Melting Point: | -25 °C(lit.) |
| Boiling Point: | 81.73 °C at 760 mmHg |
| Flash Point: | 20 °F |
| Solubility: | 4.38mg/L at 25℃ |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 F,  Xn,  N
|
| Risk Codes: | 11-38-50/53-65-67 |
| Safety: | 9-16-29-33-60-61-62 |
| PSA: | 0.00000 |
| LogP: | 2.68850 |
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Specification
The Butane,2,2,3-trimethyl- is an organic compound with the formula C7H16. The IUPAC name of this chemical is 2,2,3-Trimethylbutane. With the CAS registry number 464-06-2, it is also named as Pentamethylethane. Besides, it is clear colorless liquid. And it should be stored in a sealed, dry, well-ventilated place.
Physical properties about Butane,2,2,3-trimethyl- are: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.863; (3)ACD/LogD (pH 7.4): 3.863; (4)ACD/BCF (pH 5.5): 508.339; (5)ACD/BCF (pH 7.4): 508.339; (6)ACD/KOC (pH 5.5): 3010.702; (7)ACD/KOC (pH 7.4): 3010.702; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.392; (10)Molar Refractivity: 34.403 cm3; (11)Molar Volume: 144.508 cm3; (12)Polarizability: 13.639×10-24 cm3; (13)Surface Tension: 19.361 dyne/cm; (14)Density: 0.693 g/cm3; (15)Enthalpy of Vaporization: 28.9 kJ/mol; (16)Boiling Point: 81.73 °C at 760 mmHg; (17)Vapour Pressure: 89.987 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-Methyl-propan-2-ol. This reaction will need reagent Triisopropylboron/Trifluoromethanesulfonic acid and solvent 1,1,2-Trichloro-1,2,2-trifluoro-ethane. The yield is about 99.9%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and irritating to the skin. Repeated exposure may cause skin dryness or cracking. Besides, vapors of this chemical may cause drowsiness and dizziness. It is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. When you are using it, keep container in a well-ventilated place and keep away from sources of ignition - No smoking. Do not empty into drains and take precautionary measures against static discharges. This material and/or its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions safety data sheet. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
(2)InChIKey: ZISSAWUMDACLOM-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
(4)Std. InChIKey: ZISSAWUMDACLOM-UHFFFAOYSA-N