86941-59-5

Basic information

• Product Name: Benzo(6,7)phenanthro(3,4-B)oxirene-2,3-diol, 1A,2,3,11C-tetrahydro-6,11-dimethyl-, (1aalpha,2alpha,3beta,11calpha)-
• Synonyms: 1A,2,3,11C-Tetrahydro-6,11-dimethylbenzo(6,7)phenanthro(3,4-B)oxirene-2,3-diol (1aalpha,2alpha,3beta,11calpha)-;Benzo(6,7)phenanthro(3,4-B)oxirene-2,3-diol, 1A,2,3,11C-tetrahydro-6,11-dimethyl-, (1aalpha,2alpha,3beta,11calpha)-
• CAS NO: 86941-59-5
• Molecular Formula: C20H18O3
• Molecular Weight: 306.35512
• Mol File: 86941-59-5.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 581.7°C at 760 mmHg
• Flash Point: 305.6°C
• Appearance: /
• Density: 1.387g/cm³
• Vapor Pressure: 2.26E-14mmHg at 25°C
• Refractive Index: 1.763
• CAS DataBase Reference: Benzo(6,7)phenanthro(3,4-B)oxirene-2,3-diol, 1A,2,3,11C-tetrahydro-6,11-dimethyl-, (1aalpha,2alpha,3beta,11calpha)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzo(6,7)phenanthro(3,4-B)oxirene-2,3-diol, 1A,2,3,11C-tetrahydro-6,11-dimethyl-, (1aalpha,2alpha,3beta,11calpha)-(86941-59-5)
• EPA Substance Registry System: Benzo(6,7)phenanthro(3,4-B)oxirene-2,3-diol, 1A,2,3,11C-tetrahydro-6,11-dimethyl-, (1aalpha,2alpha,3beta,11calpha)-(86941-59-5)

Safety Data

• Hazardous Substances Data: 86941-59-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19+,20-/m1/s1

Upstream product

• 103500-33-0 7,12-Dimethyl-7,12-dihydro-benzo[a]anthracene-3,7,12-triol 
• 68162-13-0 (+/-)-trans-3,4-Dihydroxy-3,4-dihydro-7,12-dimethylbenzanthracene 
• 71964-75-5 2-(6-methoxy-2-naphthoyl)benzoic acid 
• 57266-83-8 3-hydroxy-7,12-dimethylbenzanthracene 
• 60549-33-9 3-hydroxybenzanthracene-7,12-dione 
• 5111-65-9 2-Bromo-6-methoxynaphthalene 
• 70092-13-6 7,12-dimethylbenzanthracene-3,4-dione 
• 103500-31-8 2α-bromo-1β,3α,4β-trihydroxy-1,2,3,4-tetrahydro-7,12-dimethylbenzanthracene 
• 147595-54-8 3-hydroxybenzo(a)anthracene acetate 
• 147595-53-7 3-oxo-1,2,3,4,5,6-hexahydrobenzo(a)anthracene 

Downstream Products

• 133551-48-1 Phosphoric acid mono-{(2R,3S,5R)-3-hydroxy-5-[6-oxo-2-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydro-benzo[a]anthracen-1-ylamino)-1,6-dihydro-purin-9-yl]-tetrahydro-furan-2-ylmethyl} ester 
• 99745-71-8 (1S,2S,3R,4S)-1-[9-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-7,12-dimethyl-1,2,3,4-tetrahydro-benzo[a]anthracene-2,3,4-triol 
• 99745-71-8 (1S,2R,3S,4R)-1-[9-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-7,12-dimethyl-1,2,3,4-tetrahydro-benzo[a]anthracene-2,3,4-triol 
• 99745-71-8 (1R,2S,3R,4S)-1-[9-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-7,12-dimethyl-1,2,3,4-tetrahydro-benzo[a]anthracene-2,3,4-triol 
• 99745-71-8 (1R,2R,3S,4R)-1-[9-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-7,12-dimethyl-1,2,3,4-tetrahydro-benzo[a]anthracene-2,3,4-triol 
• 133551-49-2 Phosphoric acid mono-{(2R,3S,5R)-3-hydroxy-5-[6-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydro-benzo[a]anthracen-1-ylamino)-purin-9-yl]-tetrahydro-furan-2-ylmethyl} ester 

Relevant articles and documents

Regio- and stereocontrolled synthesis of the bay-region anti-diol epoxide metabolites of the potent carcinogens benzo[a]pyrene and 7,12-dimethylbenz[a]anthracene

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Synthesis of the active diol epoxide metabolites of the potent carcinogenic hydrocarbon 7,12-dimethylbenz[a]anthrene

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