Aflatoxin B1 | CAS No. 1162-65-8

Aflatoxin B1

Basic Information

CAS Number

1162-65-8

Molecular Formula

C17H12O6

Molecular Weight

312.28 g/mol

AD

Basic Physical Properties

Physical State

Yellow powder

Melting Point

268-269 ºC

Boiling Point

372.21°C (rough estimate)

Flash Point

2 °C

Refractive Index

1.4800 (estimate)

Vapor Pressure

0.0±1.4 mmHg at 25°C

Specific Rotation

D -558° (c = 0.1 in CHCl3); D -480° (c = 0.1 in DMF)

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=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

LogP

2.2765000000000004

Topological Polar Surface Area

74.97000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

650

Safety Information

View Safety Information

Hazard Statement

H340 May cause genetic defects
Germ cell mutagenicity
H350 May cause cancer
Carcinogenicity
H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1(a) Class 6.1(a)

Toxicity

LD50 orally in day old duckling: 18.2 mg/50 gm body wt (Carnaghan); i.p. in newborn mice: 9.50 mg/kg body wt (Büchi)

Synonyms & References

English

  • (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
  • SCHEMBL126480
  • 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(2',3':4,5)furo(2,3-h)chromene-1,11-dione
  • DTXSID00873175
  • (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione
  • Methyl 4-(4-Fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-
  • DTXCID10820519
  • 794 - Aflatoxin analysis of spices
  • Aflatoxin B1 from Aspergillus flavus, from Aspergillus flavus
  • AKOS030241596
  • Q4689278
  • 1-CYCLOPENTENE-1-CARBOXYLIC ACID, 2-(3A,8A-DIHYDRO-4-HYDROXY-6-METHOXYFURO(2,3-B)BENZOFURAN-5-YL)-5-OXO-, DELTA-LACTONE
  • 10279-73-9
  • AFLATOXIN B1 [HSDB]
  • (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
  • 03 - Mycotoxins
  • Cyclopenta[c]furo[3',5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-
  • 1ST7205
  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-
  • 5-carboxylate
  • (6AR-CIS)-2,3,6A,9A-TETRAHYDRO-4-METHOXYCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE
  • AMY22311
  • AFB1
  • CCRIS 12
  • (-)-Aflatoxin B1
  • EINECS 214-603-3
  • NSC 529592
  • Aflatoxin B(1)
  • MFCD00869647
  • NS00000079
  • WLN: T F5 C6 B655 DOV GV OO QO RUT&&TTJ LO1

MDL Number

MFCD00869647

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