CAS No.22494-42-4,Diflunisal Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22494-42-4
Name:	Diflunisal
Article Data:	39

Formula:	C₁₃H₈F₂O₃
Molecular Weight:	250.202
Synonyms:	3-Biphenylcarboxylicacid, 2',4'-difluoro-4-hydroxy- (8CI);2',4'-Difluoro-4-hydroxybiphenyl-3-carboxylicacid;5-(2,4-Difluorophenyl)salicylic acid;Adomal;Difludol;Diflunisal;Diflusinal;Dolisal;Doloban;Dolobid;Dolobis;Flovacil;Fluniget;Fluodonil;Flustar;MK 647;
EINECS:	245-034-9
Density:	1.437 g/cm³
Melting Point:	207-209 °C
Boiling Point:	386.9 °C at 760 mmHg
Flash Point:	187.8 °C
Solubility:	6.186mg/L(24.99 oC)
Appearance:	White solid
Hazard Symbols:	Xn, Xi
Risk Codes:	22-36/37/38-63
Safety:	22-26-36
PSA:	57.53000
LogP:	3.03560

Raw Materials

144025-03-6

59089-67-7

529-28-2

606-45-1

124-38-9

71-43-2

89-55-4

100-66-3

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Specification

The 5-(2,4-Difluorophenyl)salicylic acid , with the CAS register number 22494-42-4, has other names as diflusinal ; labotest-bb lt00771921 ; 2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylic acid ; 2',4'-difluoro-4-hydroxy-biphenyl-3-carboxylic acid ; 5-[2,4-difluorophenyl]salicylic acid ; [1,1'-biphenyl]-3-carboxylic acid, 2',4'-difluoro-4-hydroxy- ; 1’-biphenyl)-3-carboxylicacid,2’,4’-difluoro-4-hydroxy-(;1’-biphenyl]-3-carboxylicacid,2’,4’-difluoro-4-hydroxy-[ .

The physical properties of this chemcial are as followings: (1)ACD/LogP: 4.44 ; (2)ACD/LogD (pH 5.5): 1.42 ; (3)ACD/LogD (pH 7.4): 1.29 ; (4)ACD/BCF (pH 5.5): 1.33 ; (5)ACD/BCF (pH 7.4): 1 ; (6)ACD/KOC (pH 5.5): 5.89 ; (7)ACD/KOC (pH 7.4): 4.41 ; (8)#H bond acceptors: 3 ; (9)#H bond donors: 2 ; (10)#Freely Rotating Bonds: 3 ; (11)Polar Surface Area: 35.53 ; (12)Index of Refraction: 1.601 ; (13)Molar Refractivity: 59.64 cm³ ; (14)Molar Volume: 174 cm³ ; (15)Polarizability: 23.64 ×10^-24 cm³ ; (16)Surface Tension: 54 dyne/cm ; (17)Density: 1.437 g/cm³ ; (18)Flash Point: 187.8 °C ; (19)Enthalpy of Vaporization: 67.08 kJ/mol ; (20)Boiling Point: 386.9 °C at 760 mmHg ; (21)Vapour Pressure: 1.11E-06 mmHg at 25°C .

This is a kind of crystalline and insoluble in water. As for its usage, it is widely applied in many ways, such as the analgesic-antipyretic which is used in the low and moderate pain, and it is also used as the Drags for Digestive Diseases. When used in curing the arthrophlogosis, it could be very useful in curing rheumatoid arthritis, chronic infectious arthritis, straining on back, shoulders,knee and neck or in the sprain and the pain aroused after the Lumpectomy.

Being a kind of harmful chemical, it may cause damage to health, and if swallowed, it will be very dangerous. Then it may have possible risk of harm to the unborn childBesides. Besides, it is also irritant to eyes, respiratory system and skin, for it may cause inflammation to the skin or other mucous membranes. So while dealing with this chemical, you should be very cautious. Wear suitable protective clothing. Do not breathe dust and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you need more safety information, you could refer to WGK Germany 3.

As for its raw material, there are various, including CARBON DIOXIDE, 2-Phenylphenol, 2,4-Difluoroaniline, and Hydroxydiphenylamine.

Additionally, you could convert the following data information into the molecular structure:
SMILES:O=C(O)c1cc(ccc1O)c2ccc(F)cc2F
InChI:InChI=1/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKey:HUPFGZXOMWLGNK-UHFFFAOYAE

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	oral	71mg/kg/5D-I (71mg/kg)	BEHAVIORAL: TOLERANCE LIVER: "JAUNDICE, CHOLESTATIC"	British Medical Journal. Vol. 2, Pg. 736, 1978.
man	TDLo	oral	429mg/kg/17W- (429mg/kg)	BLOOD: AGRANULOCYTOSIS	Australian and New Zealand Journal of Medicine. Vol. 16, Pg. 811, 1986.
mouse	LD50	intraperitoneal	124mg/kg (124mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
mouse	LD50	oral	439mg/kg (439mg/kg)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA	British Journal of Clinical Pharmacology. Vol. 4, Pg. 19S, 1977.
mouse	LD50	subcutaneous	212mg/kg (212mg/kg)		Drugs in Japan Vol. -, Pg. 555, 1995.
rabbit	LD50	oral	603mg/kg (603mg/kg)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA	British Journal of Clinical Pharmacology. Vol. 4, Pg. 19S, 1977.
rat	LD50	intraperitoneal	159mg/kg (159mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
rat	LD50	oral	392mg/kg (392mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
rat	LD50	subcutaneous	185mg/kg (185mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984