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| CAS No.: | 552-94-3 |
|---|---|
| Name: | Sasapyrine |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H10O5 |
| Molecular Weight: | 258.23 |
| Synonyms: | Sasapyrinum;o-Salicylsalicylic acid;Salicylicacid, bimol. ester (7CI);Salicylic acid, salicylate (6CI);2-Hydroxybenzoicacid 2-carboxyphenyl ester;Diacesal;Diplosal;Disalcid;Disalgesic;Disalicylic acid;Sasapyrine;Disalyl;Mono-Gesic;NSC 49171;Nobacid;Salflex;Salical;Salicyl salicylate;Salicyloxysalicylic acid;Salicyloylsalicylic acid;Salicylsalicylic acid;Salina;Salsalate;Salysal;Sasapirin; |
| EINECS: | 209-027-4 |
| Density: | 1.404 g/cm3 |
| Melting Point: | 148-151°C |
| Boiling Point: | 482.9 °C at 760 mmHg |
| Flash Point: | 188 °C |
| Solubility: | Hydrolysis in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 83.83000 |
| LogP: | 2.30960 |
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| Conditions | Yield |
|---|---|
| With diethylamine In water; 1,2-dichloro-ethane at 0 - 25℃; for 12h; Temperature; Large scale; | 85.08% |
| With dimethyl fluorenylidenetributylphosphoranylidenesuccinate In benzene at 80℃; for 7h; | 79% |
| Multi-step reaction with 2 steps 1: pyridine / -5 °C 2: aluminium bromide; benzene View Scheme |
- 123-91-1
1,4-dioxane
- 623-11-0
1-methyl-4-nitrosobenzene
- 486-58-8
disalicylide
- 552-94-3
2-hydroxy-benzoic acid, 2-carboxyphenyl ester
- 110-86-1
pyridine
- 75-44-5
phosgene
- 108-88-3
toluene
- 69-72-7
salicylic acid
- 552-94-3
2-hydroxy-benzoic acid, 2-carboxyphenyl ester
- 110-86-1
pyridine
- 75-44-5
phosgene
- 69-72-7
salicylic acid
- 71-43-2
benzene
- 552-94-3
2-hydroxy-benzoic acid, 2-carboxyphenyl ester
| Conditions | Yield |
|---|---|
| With diluted alkali | |
| With 10 percent human plasma In acetonitrile at 37℃; Rate constant; phosphate buffer (pH 7.4); or in undiluted plasma; | |
| With diluted alkali |
- 552-94-3
2-hydroxy-benzoic acid, 2-carboxyphenyl ester
| Conditions | Yield |
|---|---|
| With acid | |
| With acid |
- 552-94-3
2-hydroxy-benzoic acid, 2-carboxyphenyl ester
| Conditions | Yield |
|---|---|
| With diluted alkali | |
| With aluminum tri-bromide; benzene | |
| With diluted alkali |
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Consensus Reports
Specification
The Salsalate, with the CAS registry number 552-94-3, is also known as Diacesal. It belongs to the product categories of Drug Bulk; Functional Materials; Liquid Crystals & Related Compounds; Phenyl Esters (Liquid Crystals); API's. Its EINECS registry number is 209-027-4. This chemical's molecular formula is C14H10O5 and molecular weight is 258.2262. Its IUPAC name is called 2-(2-hydroxybenzoyl)oxybenzoic acid.
Physical properties of Salsalate: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.42; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 66.7 cm3; (13)Molar Volume: 183.8 cm3; (14)Surface Tension: 64.9 dyne/cm; (15)Density: 1.404 g/cm3; (16)Flash Point: 188 °C; (17)Enthalpy of Vaporization: 78.78 kJ/mol; (18)Boiling Point: 482.9 °C at 760 mmHg; (19)Vapour Pressure: 3.88E-10 mmHg at 25°C.
Preparation of Salsalate: this chemical can be prepared by 2-hydroxy-benzoic acid. This reaction will need reagent phosphorus chloride.
Uses of Salsalate: it can be used to produce 2-(2-acetoxy-benzoyloxy)-benzoic acid at temperature of 80 °C. This reaction will need reagent cc. H2SO4 with reaction time of 40 min. The yield is about %.
Salsalate is used to reduce pain and inflammation caused by conditions such as rheumatoid arthritis, osteoarthritis, and related rheumatic conditions. It has also been used as an alternative to narcotic pain medicine for people with spinal disc protrusion.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O
(2)InChI: InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)
(3)InChIKey: WVYADZUPLLSGPU-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | unreported | 1200mg/kg (1200mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
| guinea pig | LDLo | unreported | 2gm/kg (2000mg/kg) | "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935. | |
| man | TDLo | oral | 2229mg/kg/2Y- (2229mg/kg) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | Annals of Internal Medicine. Vol. 107, Pg. 116, 1987. |
| mouse | LD50 | subcutaneous | 1020mg/kg (1020mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1101, 1980. |