Cas no 58917-67-2 (Benzoapyrene Diol Epoxide (>90%))

Benzoapyrene Diol Epoxide (>90%) structure
58917-67-2 structure
Product Name:Benzoapyrene Diol Epoxide (>90%)
CAS No:58917-67-2
MF:C20H14O3
MW:302.323365688324
CID:367854
PubChem ID:44461
Update Time:2025-04-19

Benzoapyrene Diol Epoxide (>90%) Chemical and Physical Properties

Names and Identifiers

    • Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol,7,8,8a,9a-tetrahydro-, (7R,8S,8aS,9aR)-rel-
    • Benzo[a]pyrene Diol Epoxide
    • 7,8,8a,9a-Tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-dio l
    • ANTI-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE, (+/-)-TRANS-
    • 7(r),8(s)-dihydroxy-9(s),10(r)-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene
    • 7r,8t-Dihydroxy-9,10t-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • (+-)anti-7beta,8alpha-Dihydroxy-9alpha,10alpha-epoxy-7,8,9,10-tetrahyrobenzo(a)pyrene
    • anti-Benzo(a)pyrene-diolepoxide
    • (+/-)-trans-7,8-Dihydrobenzo(a)pyrene-7,8-diol-9,10-epoxide (anti)
    • anti-r-7,t-8-Dihydroxy-t-9,10-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • (+/-)-Benzo(a)pyrene-7,8-diol-9,10-epoxide, anti-
    • Benzo(a)pyrene, 7,8,9,10-tetrahydro-9-beta,10-beta-epoxy-7-alpha,8-beta-dihydroxy-, (+-)-
    • 58917-67-2
    • anti-BP-diolepoxide
    • (+/-)-ANTI-BPDE
    • ANTI-(+/-)-TRANS-7,8,9,10-TETRAHYDROBENZO[A]PYRENE-7,8-DIOL-9,10-EPOXIDE
    • DTXSID0040967
    • RZT81YA9NW
    • BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7R-(7.ALPHA.,8.BETA.,8A.ALPHA.,9A.ALPHA.))-
    • BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7.ALPHA.,8.BETA.,8A.ALPHA.,9A.ALPHA.)-
    • Benzo(a)pyrene diol epoxide anti
    • (+)-trans-7-beta,8-alpha-Dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • 63323-31-9
    • BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7R,8S,8AS,9AR)-
    • CCRIS 977
    • UNII-L0951YSJ5E
    • r-7,t-8-dihydroxy-t-9,10-epoxy-7,8,9,10-tetrahydro- benzo(a)pyrene,(+ -)
    • (+)-7alpha,8beta-Dihydroxy-9alpha,10alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • CCRIS 8053
    • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7,8-dihydroxy-9,10-epoxy-, anti-
    • (+)-ANTI-BENZO(A)PYRENE-7,8-DIHYDRODIOL-9,10-EPOXIDE
    • 7beta,8alpha-Dihydroxy-9alpha,10alpha-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • SCHEMBL6741093
    • trans-7,8-Dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7,8-dihydroxy-9,10-epoxy-, (E)-
    • anti-(+-)-trans-7,8,9,10-Tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide
    • trans-7,8-Dihydroxy-anti-9-10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • (3R,5S,6S,7R)-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol
    • (+-)-(E)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • (+)-7ALPHA,8BETA-DIHYDROXY-9ALPHA,10ALPHA-EPOXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE
    • (+)-anti-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • anti benzo(a)pyrene-trans-7,8-dihydrodiol-9,10-epoxide
    • (+)-7beta,8alpha-Dihydroxy-9alpha,10alpha-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-alpha,8-beta-dihydroxy-9-beta,10-beta-epoxy-, (+)-E-
    • L0951YSJ5E
    • CCRIS 795
    • Benzo(a)pyrene, 7,8,9,10-tetrahydro-7-beta,8-alpha-dihydroxy-9-alpha,10-alpha-epoxy-, (+)-E-
    • TRANS-ANTI-(+-)-BENZO(A)PYRENE-7,8-DIOL-9,10-OXIDE
    • (+)-7R,8S-Dihydroxy-9S,10R-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • ANTI-BPDE, (+/-)-
    • Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7R,8S,8aS,9aR)-rel-
    • UNII-RZT81YA9NW
    • anti-Benzo(a)pyrene-trans-7,8-dihydrodiol-9,10-epoxide
    • (+)-ANTI-TRANS-BENZO(A)PYRENE-7,8-DIOL 9,10-EPOXIDE
    • trans-7,8-Dihydroxy-9,10-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • (+-)-anti-BPDE
    • Benzo(a)pyrene-7,8-dihydrodiol 9,10-epoxide, anti-(+)-
    • (+)-BP-7-beta,8-alpha-diol-9-alpha,10-alpha-epoxide 2
    • anti-Benzo(a)pyrene-7,8-diol-9,10-oxide
    • Benzo(a)pyrene-7,8-diol-9,10-epoxide, 7R-anti
    • (+)-anti-bpde
    • (+/-)-Anti-benzo(a)pyrenediol epoxide
    • (+)-BPDE 2
    • (+/-)-anti-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • (+-)-trans-7,8-Dihydroxy-trans-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, ANTI-(+/-)-
    • (+/-)-ANTI-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE
    • ANTI-BPDE, (+)-
    • r-7,t-8-Dihydroxy-c-9,10-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene
    • ANTI-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE, (+)-TRANS-
    • (+)-Benzo(a)pyrene-7,8-diol-9,10-epoxide- (anti)
    • (7R,8S,8aS,9aR)-7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol
    • BP diol epoxide anti
    • (+)-BPDE
    • DTXSID9036779
    • rel-(7R,8S,8aS,9aR)-7,8,8a,9a-Tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol
    • (+)-(7R,8S,9S,10R)-BPDE
    • Benzoapyrene Diol Epoxide (>90%)
    • Inchi: 1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m1/s1
    • InChI Key: DQEPMTIXHXSFOR-WCIQWLHISA-N
    • SMILES: O1[C@@H]2C3C4C=CC5C=CC=C6C=CC(=CC=3[C@H]([C@@H]([C@H]12)O)O)C=4C=56

Computed Properties

  • Exact Mass: 302.094
  • Monoisotopic Mass: 302.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 507
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 53A^2
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.1653 (rough estimate)
  • Melting Point: 164-166°C
  • Boiling Point: 403.36°C (rough estimate)
  • Flash Point: 313.2°C
  • Refractive Index: 1.5560 (estimate)
  • Solubility: DMSO (Slightly)

Benzoapyrene Diol Epoxide (>90%) Security Information

  • Storage Condition:Ventilation and low temperature drying

Benzoapyrene Diol Epoxide (>90%) Pricemore >>

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