Aflatoxin-B1-2-3-dichloride: 0 Products found
Name
Aflatoxin-B1-2-3-dichloride
EINECS
CAS No.
58209-98-6
Density
1.66g/cm3
Solubility
Melting Point
Formula
C17H12 Cl2 O6
Boiling Point
588.1°Cat760mmHg
Molecular Weight
383.19
Flash Point
240.3°C
Transport Information
Appearance
Safety
Questionable carcinogen with experimental neoplastigenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl. See also various aflatoxins.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
AflatoxinB1-2,3-dichloride

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Chemistry

The Molecular Structure of Aflatoxin B1 2,3-dichloride (CAS NO.58209-98-6):
Molecular Formula: C17H12Cl2O6
Molecular Weight: 383.179580 g/mol
Nominal Mass: 382 Da
Average Mass: 383.1796 Da
Monoisotopic Mass: 382.001094 Da 
Classification: Mutation data,Tumor data
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.88
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 5.5): 2.75
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 5.5): 71.73
ACD/KOC (pH 7.4): 71.73 
Polar Surface Area: 71.06Å2
Index of Refraction: 1.667
Molar Refractivity: 85.72 cm3
Molar Volume: 230.1 cm3
Surface Tension: 67.9 dyne/cm
Density: 1.66 g/cm3
Flash Point: 240.3 °C
Enthalpy of Vaporization: 87.8 kJ/mol
Boiling Point: 588.1 °C at 760 mmHg
Vapour Pressure: 8.22E-14 mmHg at 25°C
InChI:InChI=1/C17H12Cl2O6/c1-22-7-4-8-11(12-13(18)15(19)25-17(12)23-8)14-10(7)5-2-3-6(20)9(5)16(21)24-14/h4,12-13,15,17H,2-3H2,1H3/t12-,13-,15-,17+/m1/s1
Smiles:c12C(CCc2c2c(cc3c([C@H]4[C@@H](O[C@H]([C@@H]4Cl)Cl)O3)c2oc1=O)OC)=O

Toxicity

1.    

dnd-hmn:fbr 4 µmol/L

    CBINA8    Chemico-Biological Interactions. 50 (1984),59.
2.    

msc-hmn:fbr 4 nmol/L

    CBINA8    Chemico-Biological Interactions. 50 (1984),59.
3.    

sln-dmg-par 200 nmol/L

    CNREA8    Cancer Research. 38 (1978),2608.

Safety

Questionable carcinogen with experimental neoplastigenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl. See also various aflatoxins.

Others

 Aflatoxin B1 2,3-dichloride (CAS NO.58209-98-6) is also called as 2,3-Dichloroaflatoxin B(sub 1) ; Aflatoxin B1 2,3-dichloride ; Aflatoxin B1 dichloride ; Aflatoxin B1-2,3-dichloride ; Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8,9-dichloro-4-methoxy-, (6aS-(6a-alpha,8-beta,9-alpha,9a-alpha))- .