-
Name
DICHLORALPHENAZONE
- EINECS 207-546-0
- CAS No. 480-30-8
- Density
- Solubility
- Melting Point 68°
- Formula C11H12N2O•2C2H3Cl3O2
- Boiling Point 319 °C at 760 mmHg
- Molecular Weight 519.036
- Flash Point 114.8 °C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also ANTIPYRINE and CHLORAL HYDRATE.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Dichloralantipyrine;Dormuphar;Sedor;dichloralphenazone;Ibiodorm;Dichloralantipyrin;Kloralfenazon;Sominat;Welldorm;
- PSA 107.85000
- LogP 2.81900
Sominat Chemical Properties
Molecular Structure of Sominat (CAS NO.480-30-8):
EINECS: 207-546-0
IUPAC Name: 1,5-Dimethyl-2-phenylpyrazol-3-one; 2,2,2-trichloroethane-1,1-diol
Molecular Formula: C15H18Cl6N2O5
Molecular Weight: 519.031820 g/mol
H-Bond Donor: 4
H-Bond Acceptor: 6
Canonical SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O
InChI: InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H
InChIKey: ATKXDQOHNICLQW-UHFFFAOYSA-N
Flash Point: 114.8 °C
Enthalpy of Vaporization: 56.05 kJ/mol
Boiling Point: 319 °C at 760 mmHg
Vapour Pressure of Sominat (CAS NO.480-30-8): 0.000348 mmHg at 25 °C
Sominat Toxicity Data With Reference
| 1. | orl-rat LD50:1338 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),137. | ||
| 2. | orl-mus LD50:1437 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),137. | ||
| 3. | ipr-mus LD50:982 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),137. |
Sominat Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also ANTIPYRINE and CHLORAL HYDRATE.
Sominat Specification
Sominat with CAS registry number of 480-30-8 is known as Antipyrine, compound with chloral hydrate (1:2) ; Antipyrine, compd. with chloral hydrate (1:2) ; Dichloralantipyrin ; Dichloralantipyrine ; Dichloralphenazone ; Dichloralphenazone [BAN] ; Dormuphar ; DEA No. 2467 ; Ibiodorm ; Kloralfenazon ; Sedor ; Welldorm ; 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compd. with 2,2,2-trichloro-1,1-ethanediol (1:2) ; 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, compound with 2,2,2-trichloroethane-1,1-diol (1:2) ; 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-, compd. with 2,2,2-trichloro-1,1-ethanediol (1:2) .
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