Product Name

  • Name

    (3R,4R)-7-methyl-3,4-dihydrotetraphene-3,4-diol

  • EINECS
  • CAS No. 64521-14-8
  • Article Data2
  • CAS DataBase
  • Density 1.328g/cm3
  • Solubility
  • Melting Point
  • Formula C19H16 O2
  • Boiling Point 533.9°Cat760mmHg
  • Molecular Weight 276.335
  • 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 ((3R,4R)-7-methyl-3,4-dihydrotetraphene-3,4-diol)
  • 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
  • PSA
  • LogP

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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