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74465-38-6

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Basic Information
CAS No.: 74465-38-6
Name: (9S,10R,10aS,11aR)-9,10,10a,11a-tetrahydrotriphenyleno[1,2-b]oxirene-9,10-diol
Molecular Structure:
Molecular Structure of 74465-38-6 ((9S,10R,10aS,11aR)-9,10,10a,11a-tetrahydrotriphenyleno[1,2-b]oxirene-9,10-diol)
Formula: C18H14O3
Molecular Weight: 278.2
Density: 1.478g/cm3
Boiling Point: 567.5°Cat760mmHg
Flash Point: 297°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
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  • (+-)-1-beta,2-alpha-Dihydroxy-3-beta,4-beta-epoxy-1,2,3,4-tetrahydrotriphenylene CAS 74465-38-6

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    74465-38-6

    (+-)-1-beta,2-alpha-Dihydroxy-3-beta,4-beta-epoxy-1,2,3,4-tetrahydrotriphenylene CAS 74465-38-6

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Chemistry

Molecular Structure of (+-)-1-beta,2-alpha-Dihydroxy-3-beta,4-beta-epoxy-1,2,3,4-tetrahydrotriphenylene (CAS NO. 74465-38-6):

Systematic Name: Triphenylene, 1,2,3,4-tetrahydro-1-beta,2-alpha-dihydroxy-3-beta,4-beta-epoxy-, (+-)-  
Molecular Formula: C18H14O3
Molecular Weight: 278.301960 g/mol
XLogP3-AA: 2.3
H-Bond Donor: 2
H-Bond Acceptor: 3
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C(C(C5C4O5)O)O
Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2[C@@H]([C@H]([C@H]5[C@@H]4O5)O)O
InChI: InChI=1S/C18H14O3/c19-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)17-18(21-17)16(15)20/h1-8,15-20H/t15-,16+,17+,18-/m0/s1
InChIKey: FUWPVBOHQHKBIF-MLHJIOFPSA-N
Index of Refraction: 1.814
Molar Refractivity: 81.56 cm3
Molar Volume: 188.2 cm3
Surface Tension: 71.7 dyne/cm
Density: 1.478 g/cm3
Flash Point: 297 °C
Enthalpy of Vaporization: 89.62 kJ/mol
Boiling Point: 567.5 °C at 760 mmHg
Vapour Pressure of (+-)-1-beta,2-alpha-Dihydroxy-3-beta,4-beta-epoxy-1,2,3,4-tetrahydrotriphenylene (CAS NO. 74465-38-6): 1.03E-13 mmHg at 25 °C

Toxicity Data With Reference

1.    

mmo-sat 1 nmol/plate

     CNREA8    Cancer Research. 40 (1980),1985.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.

Specification

  (+-)-1-beta,2-alpha-Dihydroxy-3-beta,4-beta-epoxy-1,2,3,4-tetrahydrotriphenylene with cas registry number of 74465-38-6 is also called for TP diol epoxide-1 ; Triphenylene, 1,2,3,4-tetrahydro-1-beta,2-alpha-dihydroxy-3-beta,4-beta-epoxy-, (+-)- .