Benzo[a]pyrene-1,6-dione

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Names

[ CAS No. ]:
3067-13-8

[ Name ]:
Benzo[a]pyrene-1,6-dione

[Synonym ]:
benzo<a>pyrene-1,6-dione
BaP-1,6-dione

Chemical & Physical Properties

[ Density]:
1.426g/cm3

[ Boiling Point ]:
545.7ºC at 760 mmHg

[ Molecular Formula ]:
C20H10O2

[ Molecular Weight ]:
282.29200

[ Flash Point ]:
200.2ºC

[ Exact Mass ]:
282.06800

[ PSA ]:
34.14000

[ LogP ]:
4.26070

[ Index of Refraction ]:
1.788

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ6315000
CHEMICAL NAME :
Benzo(a)pyrene-1,6-dione
CAS REGISTRY NUMBER :
3067-13-8
BEILSTEIN REFERENCE NO. :
2334217
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C20-H10-O2
MOLECULAR WEIGHT :
282.30
WISWESSER LINE NOTATION :
L D6 B6666 2AB T JV QVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4520 ug/kg
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
2 mg/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 36,3350,1976

Safety Information

[ HS Code ]:
2914399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzo(a)pyrene
  • Benzo[a]pyren-6-ol
  • 6-aminobenzo(a)pyrene
  • 6-FLUOROBENZO(a)PYRENE
  • 6-ACETOXY-BENZO(a)PYRENE
  • Tetramethylammonium acetate

DownStream

  • 1,6-diethoxybenzo[a]pyrene
  • 1,6-dimethoxybenzo[a]pyrene

Customs

[ HS Code ]: 2914399090

[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Related Compounds

  • Benzo[a]pyrene-1,6-dione
  • 7-methylbenzo[b]pyrene-1,6-dione
  • benzo[b]pyrene-1,6-diol
  • 1,6-dinitrocarbazole
  • Benzo[a]pyrene-6,12-dione,2,5,10-trihydroxy-4-methoxy- (8CI,9CI)
  • Benzo[a]pyrene-1,2,3,4,5,6,11,12-d8-7,8-diol, 7,8-dihydro-, (7R,8R)-rel
  • (6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
  • 1-(4-Chloro-3-methoxyphenyl)ethan-1-amine
  • 2-[3'-(6-Phenylhexyl)[1,1'-biphenyl]-3-yl]benzothiazole
  • 3-(3-Methoxy-phenyl)-3-oxo-propionic acid
  • 6-Chloro-2-[[(4-methoxyphenyl)methyl]amino]-3-pyridinecarbonitrile
  • 3-(3,4-Dichlorophenoxy)propan-1-ol
  • trans-2-Methylazetidine-3-carboxylic acid
  • 4-pentylthiazol-2-amine
  • T3NU2Hbk8Z
  • 4-((4-Chlorobenzyl)(methyl)amino)butanoic acid hydrochloride
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