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CAS Number: 5728-20-1
3,4-dichloro-1,2,5-thiadiazole

Structure

 3,4-dichloro-1,2,5-thiadiazole
Name: 3,4-dichloro-1,2,5-thiadiazole
Synonyms:
General Information
Product Number: 5728201
CAS Registry Number: 5728-20-1
Name:
1,​2,​5-​Thiadiazole, 3,​4-​dichloro-
3,​4-​Dichloro-​1,​2,​5-​thiadiazole; 4,​5-​Dichloro-​2,​1,​3-​thiadiazole
 
Chemical Formula: C2Cl2N2S
Exact Mass: 153.92
Molecular Weight: 155.01
m/z: 153.92 (100.0%), 155.91 (68.4%), 157.91 (13.1%), 154.92 (3.0%), 156.92 (1.5%), 156.91 (1.0%)
Elemental Analysis: C, 15.50; Cl, 45.74; N, 18.07; S, 20.69
 
InChI: InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1
InChIKey: YNZQOVYRCBAMEU-UHFFFAOYSA-N
Canonical SMILES : C1(=NSN=C1Cl)Cl
 
Thermal Properties Value Condition Note
Boiling Point 101-102 °C Press: 122 Torr (1)CAS
Boiling Point 85 °C Press: 85 Torr (1)CAS
Boiling Point 85 °C Press: 82-85 Torr (2)CAS

Specification

98%
References
  1. (1) NL 6512711 1966 CAPLUS
  2. (2) Vest, Robert D.; US 3115497 1963 CAPLUS
  3. (3) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Strunskaya, E. I.; Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii) 2003, V73(5), P806-815 CAPLUS
  6. (6) Vasilieva, Nadezhda V.; Journal of Physical Organic Chemistry 2010, V23(6), P536-543 CAPLUS
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