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Cas Database |
| Name |
7-Mba 3,4-dihydrodiol |
EINECS | N/A |
| CAS No. | 64521-14-8 | Density | 1.328g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H16 O2 | Boiling Point | 533.9°Cat760mmHg |
| Molecular Weight | 276.335 | Flash Point | 258.3°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
Article Data | 2 |
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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