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23611-68-9

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Basic Information
CAS No.: 23611-68-9
Name: 6,8-Dibromo-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione
Molecular Structure:
Molecular Structure of 23611-68-9 (6,8-Dibromo-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione)
Formula: C8H3 Br2 N O2 S
Molecular Weight: 336.991
Synonyms: 2H-1,3-Benzoxazine-2,4(3H)-dione,6,8-dibromo-2-thio- (8CI)
Density: 2.3g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: A poison by ingestion.
Safety: A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Br−.
PSA: 78.35000
LogP: 3.78790
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Chemistry

IUPAC Name: 6,8-dibromo-2-sulfanylidene-1,3-benzoxazin-4-one 
Empirical Formula: C8H3Br2NO2S
Molecular Weight: 336.9879g/mol
Structure of 6,8-Dibromo-dihydro-1,3-benzoxazine-2-thione-4-one (CAS NO.23611-68-9):

Index of Refraction: 1.791
Molar Refractivity: 62.02 cm3
Molar Volume: 146.1 cm3
 Polarizability: 24.58×10-24cm3
Surface Tension: 93.8 dyne/cm
Density: 2.3 g/cm3 
Canonical SMILES: C1=C(C=C2C(=C1Br)OC(=S)NC2=O)Br
InChI: InChI=1S/C8H3Br2NO2S/c9-3-1-4-6(5(10)2-3)13-8(14)11-7(4)12/h1-2H,(H,11,12,14)
InChIKey: GQOPHCWZRMHLJT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:200 mg/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3595959 .

Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Br−.

Specification

  6,8-Dibromo-dihydro-1,3-benzoxazine-2-thione-4-one , its cas register number is 23611-68-9. It also can be called  6,8-Dibromo-2-thio-2H-1,3-benzoxazine-2,4(3H)-dione .