3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene supplier

Name
1,2,3-BENZOTHIADIAZOLE, 6-CHLORO-
EINECS
CAS No. 23644-01-1
Density 1.531 g/cm³
Solubility
Melting Point 74-75 °C
Formula C₆H₃ClN₂S
Boiling Point 262 °C at 760 mmHg
Molecular Weight 170.622
Flash Point 112.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3-BENZOTHIADIAZOLE, 6-CHLORO-
PSA 54.02000
LogP 2.34470

3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene Specification

The 3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene is an organic compound with the formula C₆H₃ClN₂S. With the CAS registry number 23644-01-1, the IUPAC name of this chemical is 6-chloro-1,2,3-benzothiadiazole.

Physical properties about 3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.46; (5)ACD/BCF (pH 7.4): 73.46; (6)ACD/KOC (pH 5.5): 753.96; (7)ACD/KOC (pH 7.4): 753.96; (8)#H bond acceptors: 2; (9)Polar Surface Area: 54.02 Å²; (10)Index of Refraction: 1.71; (11)Molar Refractivity: 43.55 cm³; (12)Molar Volume: 111.4 cm³; (13)Polarizability: 17.26×10^-24cm³; (14)Surface Tension: 66.6 dyne/cm; (15)Density: 1.531 g/cm³; (16)Flash Point: 112.3 °C; (17)Enthalpy of Vaporization: 47.96 kJ/mol; (18)Boiling Point: 262 °C at 760 mmHg; (19)Vapour Pressure: 0.0182 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2nnsc2c1
(2)InChI: InChI=1/C6H3ClN2S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H
(3)InChIKey: JDEPJFDVBPZWBW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H3ClN2S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H
(5)Std. InChIKey: JDEPJFDVBPZWBW-UHFFFAOYSA-N

Product Name

1,2,3-BENZOTHIADIAZOLE, 6-CHLORO-

3-Chloro-9-thia-7,8-diazabicyclo[4.3.0]nona-2,4,7,10-tetraene Specification

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