-
Name
7,8,12-trimethylbenz(a)anthracene
- EINECS
- CAS No. 13345-64-7
- Density 1.123g/cm3
- Solubility
- Melting Point 127-128 °C
- Formula C21H18
- Boiling Point 482.9°C at 760 mmHg
- Molecular Weight 270.374
- Flash Point 240°C
- Transport Information
- Appearance
- Safety Poison by intravenous route. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 7,8,12-Trimethylbenz[a]anthracene
- PSA 0.00000
- LogP 6.07140
7,8,12-Trimethylbenz(a)anthracene Chemical Properties
Product Name: 7,8,12-Trimethylbenz(a)anthracene (CAS NO.13345-64-7)
Molecular Formula: C21H18
Molecular Weight: 270.3676g/mol
Mol File: 13345-64-7.mol
Boiling point: 482.9 °C at 760 mmHg
Flash Point: 240 °C
Density: 1.123 g/cm3
Surface Tension: 47.5 dyne/cm
Enthalpy of Vaporization: 71.94 kJ/mol
Vapour Pressure: 5.14E-09 mmHg at 25°C
XLogP3-AA: 6.2
H-Bond Donor: 0
H-Bond Acceptor: 0
IUPAC Name: 7,8,12-trimethylbenzo[b]phenanthrene
Canonical SMILES: CC1=CC=CC2=C1C(=C3C=CC4=CC=CC=C4C3=C2C)C
InChI: InChI=1S/C21H18/c1-13-7-6-10-17-15(3)21-18(14(2)20(13)17)12-11-16-8-4-5-
9-19(16)21/h4-12H,1-3H3
InChIKey: NQIIOABBGPROQW-UHFFFAOYSA-N
7,8,12-Trimethylbenz(a)anthracene Toxicity Data With Reference
| 1. | sln-dmg-par 5 mmol/L | MUREAV Mutation Research. 125 (1984),243. | ||
| 2. | sce-rat:bmr 270 mg/L | JJIND8 JNCI, Journal of the National Cancer Institute. 67 (1981),831. | ||
| 3. | ivn-rat TDLo:175 mg/kg/10W-I:CAR | JEMEAV Journal of Experimental Medicine. 131 (1970),321. | ||
| 4. | ivn-mus TDLo:20 mg/kg:ETA,REP | MOPMA3 Molecular Pharmacology. 4 (1968),427. | ||
| 5. | ivn-rat LD50:125 mg/kg | MOPMA3 Molecular Pharmacology. 4 (1968),427. | ||
| 6. | ivn-mus LD50:50 mg/kg | MOPMA3 Molecular Pharmacology. 4 (1968),427. |
7,8,12-Trimethylbenz(a)anthracene Safety Profile
Poison by intravenous route. Experimental reproductive effects. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
7,8,12-Trimethylbenz(a)anthracene Specification
7,8,12-Trimethylbenz(a)anthracene ,its CAS NO. is 13345-64-7,the synonyms is 3-05-00-02426 (Beilstein Handbook Reference) ; 5:9:10-Trimethyl-1:2-benzanthracene ; 7,8,12-TMBA ; Benz(a)anthracene, 7,8,12-trimethyl .
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