CAS No.22071-15-4,Ketoprofen Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22071-15-4
Name:	Ketoprofen
Article Data:	84

Formula:	C₁₆H₁₄O₃
Molecular Weight:	254.285
Synonyms:	3-Benzoyl-alpha-methylbenzeneacetic acid;Epatec;Oruvail;Orudis;Ketoprofen (JP14/USP);2-(3-Benzoylphenyl)propionic acid;3-Benzoylhydratropic acid;Profenid;Benzeneacetic acid,3-benzoyl-R-methyl-;LAcide (benzoyl-3-phenyl)-2-propionique;Alrheumate;m-Benzoylhydratropic acid;ISO-K;Orudis (TN);
EINECS:	244-759-8
Density:	1.198 g/cm³
Melting Point:	69-71 °C
Boiling Point:	431.3 °C at 760 mmHg
Flash Point:	147 °C
Solubility:	209mg/L(room temperature)
Appearance:	white crystalline solid
Hazard Symbols:	T
Risk Codes:	25-36/37/38-23/24/25
Safety:	26-45-36/37/39
PSA:	54.37000
LogP:	3.10570

Synthetic route

: 197314-10-6
2-(3-benzoyl-phenyl)-thiopropionic acid S-methyl ester

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With potassium hydroxide In acetone for 2h; Heating;	100%

: 362470-63-1
(S)-2-(3-Benzoyl-phenyl)-propionic acid (S)-1-carbamoylmethyl-4,4-dimethyl-2-oxo-pyrrolidin-3-yl ester

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With potassium trimethylsilonate In tetrahydrofuran at 20℃; for 12h;	99%

: 201230-82-2
carbon monoxide

: 63444-57-5
3-benzoylstyrene

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With palladium diacetate; catacxium A In 1,4-dioxane at 100℃; for 20h;	99%
With palladium diacetate; catacxium A In 1,4-dioxane at 100℃; for 20h;	99%
With hydrogenchloride; water; palladium diacetate; catacxium A In 1,4-dioxane at 100℃; under 30003 Torr; for 20h; regioselective reaction;	99 %Chromat.

: 79868-87-4
3-(3-benzoylphenyl)butan-2-one

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With sodium hypochlorite at 70℃; for 0.25h;	95%
With sodium hypochlorite Yield given;

: 80078-36-0
dimethyl 2-methyl-2-(3'-benzoyl)phenylpropanedioate

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran at 25℃; for 24h;	95%

: 42872-30-0
alpha-(m-benzoylphenyl)propionitrile

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With sulfuric acid for 7h; Reflux;	92.8%
With sulfuric acid In water; toluene
With sodium hydroxide; sulfuric acid In water; toluene
With sulfuric acid In water; toluene
With sulfuric acid for 7h; Reflux;

: 1235479-25-0
C18H20O3

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
Stage #1: C18H20O3 With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In acetonitrile at 5℃; for 2h; pH=9 - 10; Stage #2: With hydrogenchloride In ethanol; water at 70℃; for 1h;	91%

: 2-(3-benzoylphenyl)-propanol

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With nitric acid In 1,4-dioxane at 20℃; for 10h;	90%
With nitric acid In 1,4-dioxane at 20℃; for 10h;	65.6%
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite In water; acetonitrile at 35℃; for 24h; aq. phosphate buffer;	40%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; laccase from Trametes versicolor; oxygen In water; acetone at 20℃; for 168h; Enzymatic reaction;	13%

: 467225-84-9
S-butyl α-(3-benzoylphenyl)thiopropionate

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With potassium hydroxide In acetone for 2h; Heating;	89%

: 216019-59-9
neomenthyldiphenylphosphine

: 63444-57-5
3-benzoylstyrene

: 7664-93-9
sulfuric acid

: 96-22-0
pentan-3-one

: 22071-15-4
ketoprofen

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; CO; CuCl2; palladium dichloride In tetrahydrofuran; water; toluene	88%

...Expand

Raw Materials

67-56-1

616-38-6

121-90-4

Downstream Products

579-18-0

586-42-5

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Specification

The Ketoprofen, with the CAS registry number 22071-15-4, is also known as 2-(3-Benzoylphenyl)propionic acid; 2-(meta-Benzoylphenyl) propionic acid; Alrheumat. It belongs to the product categories of Pharmaceuticals;Lipid signaling;Pharmaceutical raw material.Its EINECS number is 244-759-8.This chemical's molecular formula is C₁₆H₁₄O₃ and molecular weight is 254.28. What's more,Its systematic name is Ketoprofen.It is a White Crystalline Solid.And it is an ibuprofen-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.

Physical properties about Ketoprofen are:
(1)ACD/LogP: 2.911; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 4.93; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 46.90; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 71.795 cm3; (14)Molar Volume: 212.246 cm3; (15)Surface Tension: 49.7709999084473 dyne/cm; (16)Density: 1.198 g/cm3; (17)Flash Point: 228.793 °C; (18)Enthalpy of Vaporization: 72.408 kJ/mol; (19)Boiling Point: 431.316 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Uses of Ketoprofen :
Ketoprofen is a common NSAID, antipyretic, and analgesic used in horses and other equines. It is also used as a mild painkiller in smaller animals, generally following surgical procedures. It is most commonly used for muscoskeletal pain, joint problems, and soft tissue injury, as well as laminitis. It does not treat the underlying problem, nor does it speed the healing process. It is also used to control fevers and prevent endotoxemia. However, they may mask the symptoms of the underlying problem, and therefore make diagnosis more difficult for a veterinarian.

Safety Information of Ketoprofen:
The Ketoprofen is toxic by inhalation,in contact with skin and if swallowed It is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES:CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O;
(2)Std. InChI:InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19);
(3)Std. InChIKey:DKYWVDODHFEZIM-UHFFFAOYSA-N.

The toxicity data of Ketoprofen as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	TDLo	unreported	300mg/kg/15D- (300mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: HEADACHE	New England Journal of Medicine. Vol. 300, Pg. 796, 1979.
guinea pig	LD50	intravenous	450mg/kg (450mg/kg)		Journal de Pharmacologie. Vol. 2, Pg. 259, 1971.
guinea pig	LD50	oral	1300mg/kg (1300mg/kg)		Journal de Pharmacologie. Vol. 2, Pg. 259, 1971.
human	TDLo	oral	714ug/kg (.714mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	Journal of Clinical Pharmacology. Vol. 24, Pg. 486, 1984.
man	TDLo	oral	5714ug/kg (5.714mg/kg)		Clinical Rheumatology. Vol. 10, Pg. 215, 1991.
man	TDLo	oral	5714ug/kg (5.714mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"	Clinical Rheumatology. Vol. 10, Pg. 215, 1991.
mouse	LD50	intraperitoneal	300mg/kg (300mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 7, 1976.
mouse	LD50	intravenous	500mg/kg (500mg/kg)		Journal de Pharmacologie. Vol. 2, Pg. 259, 1971.
mouse	LD50	oral	360mg/kg (360mg/kg)		Polish Journal of Pharmacology and Pharmacy. Vol. 38, Pg. 107, 1986.
mouse	LD50	subcutaneous	550mg/kg (550mg/kg)		Journal de Pharmacologie. Vol. 2, Pg. 259, 1971.
rat	LD50	intraperitoneal	80mg/kg (80mg/kg)		Drugs in Japan Vol. 6, Pg. 265, 1982.
rat	LD50	intravenous	350mg/kg (350mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 222, 1978.
rat	LD50	oral	62400ug/kg (62.4mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 34, Pg. 280, 1984.
rat	LD50	rectal	84mg/kg (84mg/kg)	GASTROINTESTINAL: PERITONITIS GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE	Journal of Toxicological Sciences. Vol. 6, Pg. 209, 1981.
rat	LD50	subcutaneous	100mg/kg (100mg/kg)		Journal de Pharmacologie. Vol. 2, Pg. 259, 1971.
women	TDLo	oral	11mg/kg/12H-I (11mg/kg)	SKIN AND APPENDAGES (SKIN): SWEATING: OTHER CARDIAC: PULSE RATE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"	Journal of Clinical Pyschopharmacology. Vol. 19, Pg. 95, 1999.
women	TDLo	oral	80mg/kg/10D-I (80mg/kg)	KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	British Medical Journal. Vol. 292, Pg. 97, 1986.