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Aflatoxin B1

CAT: 0286-A12121-02Size: 5 mgDry Ice: NoHazardous: Yes
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CAT#:0286-A12121-02Size:5 mg
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CAS Number
1162-65-8
UN Code
UN3462
Pictogram
06 - Acute Toxicity; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00869647
Hazard Statement
H300 Fatal if swallowed; H310 Fatal in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H330 Fatal if inhaled; H332 Harmful if inhaled; H350 May cause cancer; H370 Causes damage to organs.
DOT Name
Toxins, Extracted From Living Sources, Solid, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGI
Precautions
P201 Obtain special instructions before use; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P284 Wear respiratory protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Aflatoxin B1

Aflatoxin B1 is an aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. It has a role as a carcinogenic agent and a human metabolite. It is an aflatoxin, an aromatic ether and an aromatic ketone.

CAS Number1162-65-8
PubChem CID186907
IUPAC Name(3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Molecular FormulaC17H12O6
Molecular Weight312.27
XLogP1.6
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity649
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
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/t8-,17+/m0/s1
InChIKey
OQIQSTLJSLGHID-WNWIJWBNSA-N
Chemical Structure
2D Structure
2D structure of Aflatoxin B1
CAS: 1162-65-8
CID: 186907
Formula: C17H12O6
MW: 312.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.27
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass312.06338810
Monoisotopic Mass312.06338810
Topological Polar Surface Area71.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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