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Substance Name: Cholanthrene
RN: 479-23-2
UNII: 429L45KABE
InChIKey: KVFJBIQWENJTDM-UHFFFAOYSA-N
Classification Code
- Tumor Data
Molecular Formula
- C20-H14
Molecular Weight
- 254.3306
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Names and Synonyms
Name of Substance
- Cholanthrene
Synonyms
- 1,2-Dihydroxybenz(j)aceanthrylene
- 4-05-00-02638 (Beilstein Handbook Reference)
- 7,8-Dimethylenebenz(a)anthracene
- Benz(7,8)aceanthrene
- Benz(j)aceanthrene
- Benz(j)aceanthrylene, 1,2-dihydro-
- BRN 1965625
- Cholanthrene
- EINECS 207-528-2
- HSDB 2809
- UNII-429L45KABE
Systematic Names
- Benz(j)aceanthrylene, 1,2-dihydro-
- Cholanthrene
Registry Numbers
CAS Registry Number
- 479-23-2
FDA UNII
- 429L45KABE
System Generated Number
- 0000479232
Structure Descriptors
InChI
1S/C20H14/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-8,10,12H,9,11H2InChIKey
KVFJBIQWENJTDM-UHFFFAOYSA-NSmiles
C1Cc2c3ccc4ccccc4c3cc5cccc1c25Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 174 | deg C | EXP | |
log P (octanol-water) | 6.500 | (none) | EST | |
Water Solubility | 0.0035 | mg/L | 27 | EXP |
Vapor Pressure | 7.23E-08 | mm Hg | 25 | EST |
Henry's Law Constant | 2.69E-06 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.53E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.