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Substance Name: 7-Ethylbenz(a)anthracene
RN: 3697-30-1
InChIKey: HBFJJKFTOQAJHO-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C20-H16

Molecular Weight

  • 256.346
 
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Names and Synonyms

Name of Substance

  • 7-Ethylbenz(a)anthracene

Synonyms

  • 10-Ethyl-1,2-benzanthracene
  • 4-05-00-02585 (Beilstein Handbook Reference)
  • 7-Ethylbenz(a)anthracene
  • BRN 1875998
  • CCRIS 1534

Systematic Names

  • 7-Ethylbenz(a)anthracene
  • Benz(a)anthracene, 7-ethyl-

Registry Numbers

CAS Registry Number

  • 3697-30-1

System Generated Number

  • 0003697301

Structure Descriptors

InChI

1S/C20H16/c1-2-16-18-10-6-4-8-15(18)13-20-17-9-5-3-7-14(17)11-12-19(16)20/h3-13H,2H2,1H3

InChIKey

HBFJJKFTOQAJHO-UHFFFAOYSA-N

Smiles

c12c(c(c3ccccc3c2)CC)ccc2c1cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.560 (none)   EST
Water Solubility 0.041 mg/L 27 EXP
Vapor Pressure 1.06E-07 mm Hg 25 EST
Henry's Law Constant 7.34E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.