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| CAS No.: | 87314-49-6 |
|---|---|
| Name: | 3 6-DICHLORO-1 2-BENZENEDITHIOL 95 |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H4Cl2S2 |
| Molecular Weight: | 211.136 |
| Synonyms: | 1,4-Dichlorobenzene-5,6-dithiol; |
| Density: | 1.524 g/cm3 |
| Melting Point: | 58-60℃ |
| Boiling Point: | 314.873 °C at 760 mmHg |
| Flash Point: | 128.78 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 77.60000 |
| LogP: | 3.57080 |
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- Total:33 Page 1 of 1 1
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Specification
The 3,6-Dichloro-1,2-benzenedithiol, with the CAS registry number 87314-49-6, is also known as 1,4-Dichlorobenzene-5,6-dithiol. This chemical's molecular formula is C6H4Cl2S2 and molecular weight is 211.13. What's more, its systematic name is 3,6-Dichloro-1,2-benzenedithiol. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of 3,6-Dichloro-1,2-benzenedithiol are: (1)ACD/LogP: 4.231; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.10; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 71.18; (6)ACD/BCF (pH 7.4): 1.63; (7)ACD/KOC (pH 5.5): 351.07; (8)ACD/KOC (pH 7.4): 8.05; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 77.6 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 52.394 cm3; (15)Molar Volume: 138.556 cm3; (16)Polarizability: 20.771×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.524 g/cm3; (19)Flash Point: 128.78 °C; (20)Enthalpy of Vaporization: 53.391 kJ/mol; (21)Boiling Point: 314.873 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c(S)c1S
(2)Std. InChI: InChI=1S/C6H4Cl2S2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
(3)Std. InChIKey: AJCUDWCLDWDLNY-UHFFFAOYSA-N