Name: DICHLORALPHENAZONE
SKU: 480-30-8

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Basic Information

Molecular Structure:
CAS No.:	480-30-8
Name:	DICHLORALPHENAZONE

Formula:	C₁₁H₁₂N₂O•2C₂H₃Cl₃O₂
Molecular Weight:	519.036
Synonyms:	Dichloralantipyrine;Dormuphar;Sedor;dichloralphenazone;Ibiodorm;Dichloralantipyrin;Kloralfenazon;Sominat;Welldorm;
EINECS:	207-546-0
Melting Point:	68°
Boiling Point:	319 °C at 760 mmHg
Flash Point:	114.8 °C
Safety:	Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl⁻ and NO_x. See also ANTIPYRINE and CHLORAL HYDRATE.
PSA:	107.85000
LogP:	2.81900

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Chemistry

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

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.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl⁻ and NO_x. See also ANTIPYRINE and CHLORAL HYDRATE.

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) .