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| CAS No.: | 19996-03-3 |
|---|---|
| Name: | 9-Chloro-10-chloromethylanthracene |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C15H10Cl2 |
| Molecular Weight: | 261.15 |
| Synonyms: | 9-Chlormethyl-10-chloranthracen;ICR 486;9-chlor-10-chlormethyl anthracen;10-(Chloromethyl)-9-chloroanthracene;9-Chloro-10-chloromethylanthracene;9-Chloro-10-chlormethylanthracen;ANTHRACENE,9-CHLORO-10-CHLOROMETHYL;10-Chlor-9-chlormethylanthracene;10-Chlormethyl-9-chloranthracen; |
| Density: | 1.323g/cm3 |
| Boiling Point: | 431.8°Cat760mmHg |
| Flash Point: | 222.6°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, AROMATIC; and ANTHRACENE. |
| PSA: | 0.00000 |
| LogP: | 5.38520 |
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Chemistry
Molecular Formula: C15H10Cl2
Molecular Weight: 261.145900 g/mol
The Molecular Structure of 9-Chloro-10-chloromethylanthracene (CAS NO.19996-03-3):
IUPAC: 9-chloro-10-(chloromethyl)anthracene
Density: 1.323 g/cm3
Flash Point: 222.6 °C
Enthalpy of Vaporization: 66.09 kJ/mol
Boiling Point: 431.8 °C at 760 mmHg
Vapour Pressure: 2.94E-07 mmHg at 25°C
Polar Surface Area: 0Å2
Index of Refraction: 1.704
Molar Refractivity: 76.59 cm3
Molar Volume: 197.3 cm3
Surface Tension: 50.5 dyne/cm
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.54
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 5.5): 9615.13
ACD/BCF (pH 7.4): 9615.13
ACD/KOC (pH 5.5): 24693.87
ACD/KOC (pH 7.4): 24693.87
InChI: InChI=1/C15H10Cl2/c16-9-14-10-5-1-3-7-12(10)15(17)13-8-4-2-6-11(13)14/h1-8H,9H2
Smiles: c12c(c3c(cccc3)c(c1cccc2)Cl)CCl
Classification Code: Mutation data/Tumor data
Toxicity Data With Reference
| 1. | mma-sat 1 µg/plate | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 72 (1975),5135. | ||
| 2. | pic-esc 50 ng/plate | CNREA8 Cancer Research. 43 (1983),2819. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, AROMATIC; and ANTHRACENE.
Specification
9-Chloro-10-chloromethylanthracene (CAS NO.19996-03-3) is also called as 10-Chloromethyl-9-chloroanthracene ; BRN 2053202 ; CCRIS 866 ; ICR 486 ; 10-(Chloromethyl)-9-chloroanthracene ; Anthracene, 9-chloro-10-chloromethyl- .