7,12-Dimethylbenz[a]anthracene
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![7,12-Dimethylbenz[a]anthracene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d4d86ca51244ec69dd399020d553d61.png "7,12-Dimethylbenz[a]anthracene")
7,12-Dimethylbenz[a]anthracene
structure -
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CAS No:
57-97-6
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Formula:
C20H16
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Chemical Name:
7,12-Dimethylbenz[a]anthracene
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Synonyms:
Benz[a]anthracene,7,12-dimethyl-;7,12-Dimethylbenz[a]anthracene;DMBA;7,12-DMBA;9,10-Dimethyl-1,2-benzanthracene;9,10-Dimethyl-1,2-benz[a]anthracene;DMBA (pharmaceutical);NSC 408823;DMBAn;56-56-4
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CAS No:
Characteristics
0
6.61
Yellow to greenish Crystalline Powder
1.1±0.1 g/cm3
123.5 °C
183-184 °C765 mm Hg(lit.)
130 °F
1.729
1.21e-06 g/l
2-8°C
6.8X10-7 mm Hg at 25 deg C
Odorless[NOAA; CAMEO Chemicals. Database of Hazardous Materials. 7,12-Dimethylbenz
Safety Information
III
6.1(b)
UN 3077 9/PG 3
3
45-22-67-65-50/53-38-11-39/23/24/25-23/24/25
53-36/37-45-62-61-60
DP4500000
C,T,N,Xn,F
Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for 7,12-Dimethylbenz
P201-P260-P280-P301 + P310-P311
H301 + H311 + H331-H350-H370
7,12-Dimethylbenz[a]anthracene Use and Manufacturing
A highly potent carcinogen that is activated by microsomal enzymes to a diol epoxide metabolite that binds covalently to DNA in mammalian cells, leading ultimately to tumorinduction
Computed Properties
Molecular Weight:256.3
XLogP3:5.8
Exact Mass:256.125200510
Monoisotopic Mass:256.125200510
Heavy Atom Count:20
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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