Chemistry informtion about Benzo(A)Pyrene Diol Epoxide Anti(CAS NO.58917-67-2) is:
Synonyms: +-7r,8t-Dihydroxy-9t,-10t-Epoxy-7,8,9,10-Tetrahydrobenzo(A. ; (+-)-7r,8t-Dihydroxy-9t,107-Epoxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene ; Benzo[A]Pyrene-Diol-Epoxide-1
Molecular Weight: 302.32336 [g/mol]
Molecular Formula: C20H14O3
XLogP3-AA: 2.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Density: 1.569 g/cm3
Flash Point: 313.2 °C
Enthalpy of Vaporization: 93.16 kJ/mol
Boiling Point: 594.2 °C at 760 mmHg
Vapour Pressure: 5.73E-15 mmHg at 25°C
Following is the molecular structure of Benzo(A)Pyrene Diol Epoxide Anti(CAS NO.58917-67-2) is:
1. | mmo-sat 200 pmol/plate | MUREAV Mutation Research. 125 (1984),95. | ||
2. | dnd-hmn:fbr 1 µmol/L | ENMUDM Environmental Mutagenesis. 7 (1985),267. | ||
3. | dns-hmn:fbr 1500 nmol/L | BBACAQ Biochimica et Biophysica Acta. 824 (1985),146. | ||
4. | msc-hmn:fbr 200 nmol/L | MUREAV Mutation Research. 125 (1984),95. | ||
5. | dnd-ham:ovr 1 mg/L | MUREAV Mutation Research. 129 (1984),365. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental tumorigenic data reported. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Descriptors Computed from Structure about Benzo(A)Pyrene Diol Epoxide Anti(CAS NO.58917-67-2) is:
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6C(O6)C(C5O)O)C=C2
InChI: InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H
InChIKey: DQEPMTIXHXSFOR-UHFFFAOYSA-N
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