CAS No.479-92-5,Propyphenazone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	479-92-5
Name:	Propyphenazone

Formula:	C₁₄H₁₈N₂O
Molecular Weight:	230.31
Synonyms:	Antipyrine,4-isopropyl- (6CI,7CI,8CI);1,2-Dihydro-1,5-dimethyl-2-phenyl-4-isopropyl-3H-pyrazol-3-one;1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one;1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one;4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one;4-Isopropylantipyrine;4-Isopropylphenazone;Arantil P;Budirol;Causyth;Cibalgina;Eufibron;Isopropchin;Isopropylantipyrin;Isopropylantipyrine;Isopropylphenazone;Isopropyrine;Larodon;
EINECS:	207-539-2
Density:	1.081 g/cm³
Melting Point:	102-105 °C
Boiling Point:	319 °C at 760 mmHg
Flash Point:	123.8 °C
Solubility:	743.6g/L(25.35 oC)
Appearance:	solid
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.93000
LogP:	2.60780

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 4-Isopropylantipyrine is an organic compound with the formula C₁₄H₁₈N₂O. The IUPAC name of this chemical is 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one. With the CAS registry number 479-92-5, it is also named as 1,2-Dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3H-pyrazol-3-one. The product's categories are Active Pharmaceutical Ingredients; API's. Besides, it should be stored in a cool closed and well-ventilated place.

Physical properties about 4-Isopropylantipyrine are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 12.31; (5)ACD/BCF (pH 7.4): 12.31; (6)ACD/KOC (pH 5.5): 209.95; (7)ACD/KOC (pH 7.4): 209.96; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 68.41 cm³; (13)Molar Volume: 212.8 cm³; (14)Polarizability: 27.12×10^-24cm³; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.081 g/cm³; (17)Flash Point: 123.8 °C; (18)Enthalpy of Vaporization: 56.06 kJ/mol; (19)Boiling Point: 319 °C at 760 mmHg; (20)Vapour Pressure: 0.000347 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C(=C(/N(N2c1ccccc1)C)C)C(C)C
(2)InChI: InChI=1/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
(3)InChIKey: PXWLVJLKJGVOKE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
(5)Std. InChIKey: PXWLVJLKJGVOKE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	oral	150mg/kg (150mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Journal of Pharmacology and Experimental Therapeutics. Vol. 61, Pg. 205, 1937.
guinea pig	LD50	oral	1050mg/kg (1050mg/kg)		Schweizerische Medizinische Wochenschrift. Vol. 84, Pg. 351, 1954.
mouse	LD50	intraperitoneal	295mg/kg (295mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 122, Pg. 434, 1959.
mouse	LD50	oral	960mg/kg (960mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 401, 1959.
rabbit	LDLo	oral	500mg/kg (500mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Journal of Pharmacology and Experimental Therapeutics. Vol. 61, Pg. 205, 1937.
rat	LD50	oral	860mg/kg (860mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 601, 1977.