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CAS No.: | 6223-78-5 |
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Name: | 2,5-DICHLORO-2,5-DIMETHYLHEXANE |
Article Data: | 78 |
Molecular Structure: | |
Formula: | C8H16Cl2 |
Molecular Weight: | 183.121 |
Synonyms: | 2,5-Dichloro-2,5-dimethylhexane;2,5-Dimethyl-2,5-dichlorohexane;NSC 408418; |
EINECS: | 228-310-3 |
Density: | 0.998 g/cm3 |
Melting Point: | 63-64 °C |
Boiling Point: | 194 °C at 760 mmHg |
Flash Point: | 68.2 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.80140 |
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The Hexane, 2, 5-dichloro-2, 5-dimethyl-, with the CAS registry number of 6223-78-5, is also known as 2, 5-Dichloro-2, 5-dimethyl-hexan. Its EINECS registry number is 228-310-3. This chemical's molecular formula is C8H16Cl2 and molecular weight is 183.12. What's more, its IUPAC name is 2, 5-Dichloro-2, 5-dimethylhexane.
Physical properties about Hexane, 2, 5-dichloro-2, 5-dimethyl- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 339.91; (6)ACD/BCF (pH 7.4): 339.91; (7)ACD/KOC (pH 5.5): 2257.13; (8)ACD/KOC (pH 7.4): 2257.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 48.74 cm3; (15)Molar Volume: 183.4 cm3; (16)Polarizability: 19.32×10-24 cm3; (17)Surface Tension: 26.8 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: 68.2 °C; (20)Enthalpy of Vaporization: 41.25 kJ/mol; (21)Boiling Point: 194 °C at 760 mmHg; (22)Vapour Pressure: 0.632 mmHg at 25 °C; (23)Melting Point: 63-64 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(C)(CCC(Cl)(C)C)C
(2) InChI: InChI=1/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
(3) InChIKey: HSTAGCWQAIXJQM-UHFFFAOYAD