Benzo[a]pyrene-1,6-dione

Modify Date: 2025-08-27 10:42:35

Benzo[a]pyrene-1,6-dione Structure
Benzo[a]pyrene-1,6-dione structure
Common Name Benzo[a]pyrene-1,6-dione
CAS Number 3067-13-8 Molecular Weight 282.29200
Density 1.426g/cm3 Boiling Point 545.7ºC at 760 mmHg
Molecular Formula C20H10O2 Melting Point N/A
MSDS N/A Flash Point 200.2ºC

 Names

Name Benzo[a]pyrene-1,6-quinone
Synonym More Synonyms

 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
InChIKey OXWHZARNAGLRFL-UHFFFAOYSA-N
SMILES O=C1C=Cc2ccc3c4c(ccc1c24)-c1ccccc1C3=O

 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

 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%

 Synonyms

benzo<a>pyrene-1,6-dione
BaP-1,6-dione
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