3-Hydroxybenzo(a)pyrene

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Names

[ CAS No. ]:
13345-21-6

[ Name ]:
3-Hydroxybenzo(a)pyrene

[Synonym ]:
Benzo[pqr]tetraphen-3-ol
Benzo[a]pyren-3-ol

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
527.2±19.0 °C at 760 mmHg

[ Molecular Formula ]:
C20H12O

[ Molecular Weight ]:
268.309

[ Flash Point ]:
252.9±13.4 °C

[ Exact Mass ]:
268.088806

[ PSA ]:
20.23000

[ LogP ]:
5.66

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.924

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ8225000
CHEMICAL NAME :
Benzo(a)pyren-3-ol
CAS REGISTRY NUMBER :
13345-21-6
BEILSTEIN REFERENCE NO. :
2333868
LAST UPDATED :
199612
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C20-H12-O
MOLECULAR WEIGHT :
268.32
WISWESSER LINE NOTATION :
L D6 B6666 2AB TJ OQ

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 :
117 ug/kg
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg/21W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4300 ug/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2760 mg/kg/69W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4280 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 :
12 umol/L
REFERENCE :
PNASA6 Proceedings of the National Academy of Sciences of the United States of America. (National Academy of Sciences, Printing & Pub. Office, 2101 Constitution Ave., Washington, DC 20418) V.1- 1915- Volume(issue)/page/year: 73,607,1976 *** REVIEWS *** TOXICOLOGY REVIEW ABSYB2 Alfred Benzon Symposium. (Nankodo Co. Ltd., POB 5272, Tokyo International 100-31, Japan) V.1- 1968- Volume(issue)/page/year: 10,261,1977

Safety Information

[ HS Code ]:
2906299090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Methoxy Benzo[a]pyrene
  • 3-bromo-7,8,9,10-tetrahydrobenzo[a]pyren-7-one
  • 3-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-7-one
  • 3-acetoxy-9,10-dihydrobenzo[a]pyrene
  • 3-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7-one ethylene ketal
  • 7-cyano-7-(trimethylsilyl)oxy-7,8,9,10-tetrahydrobenzo[a]pyrene
  • 3-(1-methoxypyren-6-yl)propanol
  • 3,7-dihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene

DownStream

  • 3-Methoxy Benzo[a]pyrene

Customs

[ HS Code ]: 2906299090

[ Summary ]:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Related Compounds

  • 3-hydroxybenzo(a)pyrene
  • 3-Hydroxybenzo(a)pyrene sulfate
  • 8-HYDROXYBENZO[A]PYRENE
  • 3-Hydroxy Benzopyrene-d11
  • 3-hydroxybenzo[a]anthracene-7,12-dione
  • 9-hydroxybenzo(a)pyrene-4,5-epoxide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 5-(3-Chlorophenyl)thiophene-3-carbaldehyde
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide