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22034-13-5

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Basic Information
CAS No.: 22034-13-5
Name: 4-BROMO-2,1,3-BENZOTHIADIAZOLE
Molecular Structure:
Molecular Structure of 22034-13-5 (4-BROMO-2,1,3-BENZOTHIADIAZOLE)
Formula: C6H3 Br N2 S
Molecular Weight: 215.073
Synonyms: 4-Bromo-2,1,3-benzothiadiazole;4-Bromobenzo[2,1,3]thiadiazole
Density: 1.859g/cm3
Melting Point: 80 °C
Boiling Point: 272.2°Cat760mmHg
Flash Point: 118.4°C
Hazard Symbols:
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety:
Hazard Codes Xi
PSA: 54.02000
LogP: 2.45380
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Chemistry

Molecule structure of 4-Bromo-2,1,3-benzothiadiazole (CAS NO.22034-13-5):

IUPAC Name: 4-Bromo-2,1,3-benzothiadiazole 
Molecular Weight: 215.07042 [g/mol]
Molecular Formula: C6H3BrN2S 
Index of Refraction: 1.733
Molar Refractivity: 46.35 cm3
Molar Volume: 115.6 cm3
Surface Tension: 68.7 dyne/cm
Density: 1.859 g/cm3 
Melting Point: 80 °C
Flash Point: 118.4 °C
Enthalpy of Vaporization: 48.99 kJ/mol
Boiling Point: 272.2 °C at 760 mmHg
Vapour Pressure: 0.0103 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Acceptor: 2
Exact Mass: 213.920031
MonoIsotopic Mass: 213.920031
Topological Polar Surface Area: 25.8
Heavy Atom Count: 10
Canonical SMILES: C1=CC2=NSN=C2C(=C1)Br
InChI: InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChIKey: KYKBVPGDKGABHY-UHFFFAOYSA-N
Product Categories of 4-Bromo-2,1,3-benzothiadiazole (CAS NO.22034-13-5): Halides; Oxadiazoles & Thiadiazoles; Oxadiazoles & Thiadiazoles

Safety Profile

Hazard Codes: IrritantXi

Specification

 4-Bromo-2,1,3-benzothiadiazole (CAS NO.22034-13-5) is also named as 2,1,3-Benzothiadiazole, 4-bromo- ; 4-Bromo-2,1,3-benzothiadiazole, 97% ; 4-Bromo-benzo[1,2,5]thiadiazole .