CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; Exhibits blue fluorescence; [Merck Index] Colorless to yellow solid; [HSDB] White powder; [MSDSonline] |
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Color/Form | Crystals |
Melting Point | 287.5 °C |
Stability/Shelf Life | AFLATOXINS B1, B2, G1, & G2 IN WATER OR CHLOROFORM SOLUTIONS OR IN SOLID FILMS WERE DECOMPOSED BY UV IRRIDIATION. |
Optical Rotation | Specific optical rotation (0.1 in chloroform): -492 deg at 25 °C/D |
Decomposition | When heated to decomposition it emits acird smoke and fumes. |
Collision Cross Section | 162 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine] |
Other Experimental Properties | Exhibits blue fluorescence |
Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H340:Germ cell mutagenicity H350:Carcinogenicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P262:Do not get in eyes, on skin, or on clothing. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 314.29 g/mol |
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XLogP3 | 1.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 1 |
Exact Mass | 314.07903816 g/mol |
Monoisotopic Mass | 314.07903816 g/mol |
Topological Polar Surface Area | 71.1 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 610 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Aflatoxin B2 is an aflatoxin having a hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.