AFLATOXIN B1

IARC Cancer Review: Group 1 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 83.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 10 (1976),p. 51.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 1 (1972),p. 145.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

The Aflatoxin B1, with the CAS registry number 1162-65-8,is also known as Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-. It belongs to the product categories of Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals. Its EINECS number is 214-603-3. This chemical's molecular formula is C17H12O6 and molecular weight is 312.27. What's more,Its systematic name is Aflatoxin B1.It is a potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1. In addition, Aflatoxin B1 (CAS NO.1162-65-8) is sensitive with air and light. It is not compatible with strong oxidizing agents, acids, alkalies, and you must not take it with dust generation, direct sunlight and incompatible materials and not be exposured to air. And also prevent it to broken down into hazardous decomposition products: carbon dioxide, carbon monoxide.

Physical properties about Aflatoxin B1 are:
(1)ACD/LogP:  2.039; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2.04; (4)ACD/LogD (pH 7.4):  2.04; (5)ACD/BCF (pH 5.5):  20.87; (6)ACD/BCF (pH 7.4):  20.87; (7)ACD/KOC (pH 5.5):  306.29; (8)ACD/KOC (pH 7.4):  306.29; (9)#H bond acceptors:  6; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  1; (12)Index of Refraction:  1.687; (13)Molar Refractivity:  76.011 cm3; (14)Molar Volume:  199.584 cm3; (15)Polarizability:  30.133 10-24cm3 ; (16)Surface Tension:  68.7190017700195 dyne/cm; (17)Density:  1.565 g/cm3; (18)Flash Point:  237.669 °C; (19)Enthalpy of Vaporization:  80.29 kJ/mol; (20)Boiling Point:  528.151 °C at 760 mmHg; (21)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C5C=4C(=O)Oc3c1c(OC2O\C=C/C12)cc(OC)c3C=4CC5;
(2)Std. InChI:InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3;
(3)Std. InChIKey:OQIQSTLJSLGHID-UHFFFAOYSA-N.

Safety Information of Aflatoxin B1:
Risk Statements:(1)Highly flammable; (2)Harmful by inhalation, in contact with skin and if swallowed; (3)Toxic by inhalation, in contact with skin and if swallowed; (4)Very toxic by inhalation, in contact with skin and if swallowed; (5)Irritating to eyes and skin; (6)Danger of very serious irreversible effects; (7)May cause cancer; (8)May cause heritable genetic damage; (9)Harmful: may cause lung damage if swallowed.
Safety Statements:(1)Keep container tightly closed; (2)Keep away from sources of ignition; (3)Avoid contact with skin; (4)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (5)Wear suitable protective clothing; (6)In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible; (7)Avoid exposure - obtain special instructions before use

The toxicity data of Aflatoxin B1 are as follows: