3,6-Dichloro-1,2-benzenedithiol supplier

Name
3 6-DICHLORO-1 2-BENZENEDITHIOL 95
EINECS
CAS No. 87314-49-6
Article Data2
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point 58-60℃
Formula C₆H₄Cl₂S₂
Boiling Point 314.873 °C at 760 mmHg
Molecular Weight 211.136
Flash Point 128.78 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4-Dichlorobenzene-5,6-dithiol;
PSA 77.60000
LogP 3.57080

3,6-Dichloro-1,2-benzenedithiol 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

Product Name

3 6-DICHLORO-1 2-BENZENEDITHIOL 95

3,6-Dichloro-1,2-benzenedithiol Specification

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