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7-Mba 3,4-dihydrodiol

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Name

7-Mba 3,4-dihydrodiol

EINECS
CAS No. 64521-14-8 Density 1.328g/cm3
Solubility Melting Point
Formula C19H16 O2 Boiling Point 533.9°Cat760mmHg
Molecular Weight 264.34 Flash Point 258.3°C
Transport Information Appearance
Safety Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes
Molecular Structure Molecular Structure of 64521-14-8 (Benz[a]anthracene-3,4-diol,3,4-dihydro-7-methyl-, (3R,4R)-rel-) Hazard Symbols
Synonyms

Benz[a]anthracene-3,4-diol,3,4-dihydro-7-methyl-, trans-; trans-3,4-Dihydroxy-3,4-dihydro-7-methylbenz[a]anthracene;trans-7-Methylbenz[a]anthracene-3,4-dihydrodiol

 

7-Mba 3,4-dihydrodiol Chemical Properties

Product Name: 7-Mba 3,4-dihydrodiol (CAS NO.64521-14-8)


Molecular Formula: C18H16O2
Molecular Weight: 264.34g/mol
Mol File: 64521-14-8.mol
Boiling point: 533.9 °C at 760 mmHg
Flash Point: 258.3 °C
Density: 1.328 g/cm3
Surface Tension: 61.9 dyne/cm
Enthalpy of Vaporization: 85.26 kJ/mol
Vapour Pressure: 3.13E-12 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of 7-Mba 3,4-dihydrodiol (CAS NO.64521-14-8):
  IUPAC Name: (3R,4R)-7-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
  Canonical SMILES: CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)C=CC(C3O)O
  Isomeric SMILES: CC1=C2C=CC3=C(C2=CC4=CC=CC=C14)C=C[C@H]([C@@H]3O)O
  InChI: InChI=1S/C19H16O2/c1-11-13-5-3-2-4-12(13)10-17-14(11)6-7-16-15(17)8-9-18(20)19(16)21/h2-10,18-21H,1H3/t18-,19-/m1/s1 
  InChIKey: UJJYHXUOXFTWOO-RTBURBONSA-N

7-Mba 3,4-dihydrodiol Toxicity Data With Reference

1.    

msc-ham:lng 1 mg/L

    IJCNAW    International Journal of Cancer. 19 (1977),828.
2.    

msc-ham:ovr 10 mg/L

    IJCNAW    International Journal of Cancer. 19 (1977),828.
3.    

mma-sat 10 µmol/L

    BBRCA9    Biochemical and Biophysical Research Communications. 75 (1977),427.
4.    

otr-mus:fbr 1 mg/L

    IJCNAW    International Journal of Cancer. 19 (1977),828.
5.    

sce-ham:ovr 4 mg/L

    MUREAV    Mutation Research. 129 (1984),365.

7-Mba 3,4-dihydrodiol Consensus Reports

EPA Genetic Toxicology Program.

7-Mba 3,4-dihydrodiol Safety Profile

Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

7-Mba 3,4-dihydrodiol Specification

 7-Mba 3,4-dihydrodiol , its CAS NO. is 64521-14-8, the synonyms are BRN 5875000 ; CCRIS 1116 ; trans-3,4-Dihydro-3,4-dihydroxy-7-methylbenz(a)anthracene ; trans-7-Methylbenz(a)anthracene-3,4-dihydrodiol ; Benz(a)anthracene, 3,4-dihydro-3,4-dihydroxy-7-methyl-, trans- ; trans-7-Methylbenz(a)anthracene-3,4-dihydrodiol .

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