CAS No.853-34-9,KETOPHENYLBUTAZONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	853-34-9
Name:	KETOPHENYLBUTAZONE

Formula:	C19H18 N2 O3
Molecular Weight:	322.364
Synonyms:	1,2-Diphenyl-4-(2-acetylethyl)pyrazolidine-3,5-dione;Chebutan; Chepirol; Chetazol; Chetazolidin; Chetil; Chetopir; Copirene; Ejor;Gammachetone; KPB; Kebuzone; Ketanol; Ketason; Ketazon; Ketazone;Ketophenylbutazone; Pecnon; Phloguron; Recheton; Reuchetal; g-Ketazone; g-Ketophenylbutazone; g-Oxophenylbutazone
Density:	1.24 g/cm3
Melting Point:	115.5-116.5° or 127.5-128.5° depending on cryst form
Boiling Point:	462.8oC at 760mmHg
Flash Point:	199.5oC
Solubility:	174.2mg/L(20 oC)
Safety:	Moderately toxic by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	57.69000
LogP:	3.09680

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Chemistry

Empirical Formula of Ketophenylbutazone (CAS NO.853-34-9): C₁₉H₁₈N₂O₃
Molecular Weight: 322.3578 g/mol
EINECS: 212-715-7
Index of Refraction: 1.598
Density: 1.24 g/cm³
Flash Point: 199.5 °C
Enthalpy of Vaporization: 72.39 kJ/mol
Boiling Point: 462.8 °C at 760 mmHg
Vapour Pressure: 9.57E-09 mmHg at 25 °C
Structure of Ketophenylbutazone (CAS NO.853-34-9):

IUPAC Name: 4-(3-Oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
Canonical SMILES: CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKey: LGYTZKPVOAIUKX-UHFFFAOYSA-N

Toxicity Data With Reference

1.	orl-rat LD50:1551 mg/kg	OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390.
2.	ipr-rat LD50:683 mg/kg	OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390.
3.	ivn-rat LD50:616 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),265.
4.	ipr-mus LD50:662 mg/kg	OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390.
5.	scu-mus LD50:620 mg/kg	OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390.
6.	ivn-mus LD50:580 mg/kg	OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390.

Safety Profile

Moderately toxic by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition Ketophenylbutazone (CAS NO.853-34-9) emits toxic fumes of NO_x.

Specification

Ketophenylbutazone , its cas register number is 853-34-9. It also can be called Kebuzone ; Chebutan ; and 1,2-Diphenyl-4-(3'-oxobutyl)-3,5-dioxopyrazolidine .