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| CAS No.: | 822-86-6 |
|---|---|
| Name: | TRANS-1,2-DICHLOROCYCLOHEXANE |
| Article Data: | 63 |
| Molecular Structure: | |
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| Formula: | C6H10Cl2 |
| Molecular Weight: | 153.051 |
| Synonyms: | Cyclohexane,1,2-dichloro-, trans- (8CI);1,2-trans-Dichlorocyclohexane;trans-1,2-Dichlorocyclohexane; |
| EINECS: | 212-503-4 |
| Density: | 1.14 g/cm3 |
| Melting Point: | -6.1°C |
| Boiling Point: | 198 °C at 760 mmHg |
| Flash Point: | 66.1 °C |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 2.77520 |
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Specification
The Cyclohexane,1,2-dichloro-, (1R,2R)-rel-, with the CAS registry number 822-86-6, is also known as trans-1,2-Dichlorocyclohexane. It belongs to the product categories of Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. Its EINECS registry number is 212-503-4. This chemical's molecular formula is C6H10Cl2 and molecular weight is 153.05. What's more, both its IUPAC name and systematic name are the same which is called (1R,2R)-1,2-Dichlorocyclohexane. It is clear colorless to yellow liquid and it should be kept in a cold and dry place. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about Cyclohexane,1,2-dichloro-, (1R,2R)-rel- are: (1) ACD/LogP: 3.06; (2) # of Rule of 5 Violations: 0 (3) ACD/LogD (pH 5.5): 3.06; (4) ACD/LogD (pH 7.4): 3.06; (5) ACD/BCF (pH 5.5): 125.03; (6) ACD/BCF (pH 7.4): 125.03; (7) ACD/KOC (pH 5.5): 1103.17; (8) ACD/KOC (pH 7.4): 1103.17; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.472; (14) Molar Refractivity: 37.4 cm3; (15) Molar Volume: 133.4 cm3; (16) Surface Tension: 30.8 dyne/cm; (17) Density: 1.14 g/cm3; (18) Flash Point: 66.1 °C; (19) Enthalpy of Vaporization: 41.65 kJ/mol; (20) Boiling Point: 198 °C at 760 mmHg; (21) Vapour Pressure: 0.518 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl[C@@H]1CCCCC1Cl
(2) InChI: InChI=1/C6H10Cl2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2/t5-,6?/m1/s1
(3) InChIKey: GZEZIBFVJYNETN-LWOQYNTDBR