Products Categories
| CAS No.: | 58209-98-6 |
|---|---|
| Name: | aflatoxin B1 dichloride |
| Molecular Structure: | |
|
|
|
| Formula: | C17H12 Cl2 O6 |
| Molecular Weight: | 383.185 |
| Synonyms: | AflatoxinB1-2,3-dichloride |
| Density: | 1.66g/cm3 |
| Boiling Point: | 588.1°Cat760mmHg |
| Flash Point: | 240.3°C |
| 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. |
| PSA: | 87.71000 |
| LogP: | 1.18180 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:3 Page 1 of 1 1
What can I do for you?
Get Best Price
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 Data With Reference
| 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 Profile
Questionable carcinogen with experimental neoplastigenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl−. See also various aflatoxins.
Specification
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))- .