Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2,1,3-Benzothiadiazole-4-sulfonylchloride

Related Products

Hot Products

Name

2,1,3-Benzothiadiazole-4-sulfonylchloride

EINECS N/A
CAS No. 73713-79-8 Density 1.723 g/cm3
PSA 96.54000 LogP 2.69960
Solubility N/A Melting Point 148 °C
Formula C6H3ClN2O2S2 Boiling Point 359.4 °C at 760 mmHg
Molecular Weight 234.687 Flash Point 171.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 73713-79-8 (2,1,3-BENZOTHIADIAZOLE-4-SULFONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

4-Chlorosulfonyl-2,1,3-benzothiadiazole;Benzo[c]-1,2,5-thiadiazole-4-sulfonyl chloride;2,1,3-benzothiadiazole-4-sulfonyl chloride;2,1,3-Benzothiadiazole-4-sulfonyl chloride;

Article Data 5

2,1,3-Benzothiadiazole-4-sulfonylchloride Specification

The 2,1,3-Benzothiadiazole-4-sulfonylchloride, with the CAS registry number 73713-79-8, has the systematic name of 2,1,3-benzothiadiazole-4-sulfonyl chloride. It belongs to the following product categories: Sulfonylhalide; Oxadiazoles & Thiadiazoles; Sulphonyl Chlorides; Benzenesulfonyl chloride; Oxadiazoles & Thiadiazoles; Sulphonyl Chlorides. And the molecular formula of the chemical is C6H3ClN2O2S2.

The characteristics of 2,1,3-Benzothiadiazole-4-sulfonylchloride are as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.57; (6)ACD/BCF (pH 7.4): 12.57; (7)ACD/KOC (pH 5.5): 213.02; (8)ACD/KOC (pH 7.4): 213.02; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 96.54 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 51.69 cm3; (15)Molar Volume: 136.1 cm3; (16)Polarizability: 20.49×10-24cm3; (17)Surface Tension: 76.8 dyne/cm; (18)Density: 1.723 g/cm3; (19)Flash Point: 171.2 °C; (20)Enthalpy of Vaporization: 58.12 kJ/mol; (21)Boiling Point: 359.4 °C at 760 mmHg; (22)Vapour Pressure: 4.94E-05 mmHg at 25°C.

Uses of 2,1,3-Benzothiadiazole-4-sulfonylchloride: It can be used to produce 4,4'-di(benzo-2,1,3-thiadiazoline)disulfide. This reaction will need reagent hydriodic acid, and the menstruum acetic acid. The reaction time is 12 hours with ambient temperature, and the yield is about 85%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClS(=O)(=O)c1cccc2nsnc12
(2)InChI: InChI=1/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
(3)InChIKey: CXAICGCTHOWKPP-UHFFFAOYAC

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05519,

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 73713-79-8