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1162-65-8

1162-65-8 structural image
Product Name: AFLATOXIN B1
Formula: C17H12O6
Synonyms: Mycotoxins
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Aflatoxin b-1 appears as colorless to pale yellow crystals or white powder. Exhibits blue fluorescence. (NTP, 1992)
Color/Form Crystals ... exhibits blue fluorescence
Melting Point 514 to 516 °F (NTP, 1992)
Solubility less than 1 mg/mL at 72 °F (NTP, 1992)
Stability/Shelf Life Aflatoxins b1, b2, g1, & g2 in water or chloroform solutions or in solid films were decomposed by UV irradiation.
Optical Rotation Specific optical rotation (0.1 in chloroform): -558 deg/D; (0.1 in dimethylformamide): -480 deg at 25 °C/D
Decomposition When heated to decomposition it emits acrid smoke.
Collision Cross Section 161 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]
Other Experimental Properties Aflatoxins are densely fluorescent; the B refers to blue, while the G signifies green fluorescence. /Aflatoxins/
Chemical Classes Biological Agents -> Mycotoxins

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H340:Germ cell mutagenicity
H350:Carcinogenicity
H361:Reproductive toxicity
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 312.27 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 312.06338810 g/mol
Monoisotopic Mass 312.06338810 g/mol
Topological Polar Surface Area 71.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 650
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 b-1 appears as colorless to pale yellow crystals or white powder. Exhibits blue fluorescence. (NTP, 1992)