3-Methoxy Benzo[a]pyrene

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Names

[ CAS No. ]:
63059-68-7

[ Name ]:
3-Methoxy Benzo[a]pyrene

[Synonym ]:
8-Methoxy-3,4-benzpyrene
3-methoxybenzo<a>pyrene
8-methoxybenzo<a>pyrene
3-Methoxy Benzopyrene

Chemical & Physical Properties

[ Density]:
1.282g/cm3

[ Boiling Point ]:
498.6ºC at 760 mmHg

[ Molecular Formula ]:
C21H14O

[ Molecular Weight ]:
282.33500

[ Flash Point ]:
206.4ºC

[ Exact Mass ]:
282.10400

[ PSA ]:
9.23000

[ LogP ]:
5.74580

[ Index of Refraction ]:
1.833

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ6475000
CHEMICAL NAME :
Benzo(a)pyrene, 3-methoxy-
CAS REGISTRY NUMBER :
63059-68-7
BEILSTEIN REFERENCE NO. :
3358627
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H14-O
MOLECULAR WEIGHT :
282.35
WISWESSER LINE NOTATION :
L D6 B6666 2AB TJ OO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16 mg/kg/13W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 6,400,1952
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 6,400,1952

Synthetic Route

Precursor & DownStream

Precursor

  • 3-methoxy-5-ethynylchrysene
  • 3-Hydroxybenzo(a)pyrene
  • Dimethyl sulfate
  • Benzo(a)pyrene
  • methyl iodide
  • 2-(7-methoxynaphthalen-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
  • 3-methoxy-5-(trimethylsilylethynyl)chrysene

DownStream

  • 3-Hydroxybenzo(a)pyrene

Related Compounds

  • 3-(chloromethyl)benzo[a]pyrene
  • 3-methoxy-7H-benzo[a]anthracen-12-one
  • 3-methoxy-12-methylbenzo[a]anthracene
  • 3-Methoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran
  • 3-methoxy-5,8,14,14a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[2,1-b]isoquinolin-2-ol
  • 3-Methoxy-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-6-one