o-Acetylsalicoyl chloride

Name	O-Acetylsalicylryl chloride
Synonyms	ASPIRIN CHLORIDE Acetylsalicoyl chloride O-Acetoxybenzoylchloride 2-Acetoxybenzoyl Chloride o-Acetylsalicoyl chloride 2-ACETOXYBENZOYL CHLORIDE Acetylsalicyloyl chloride O-Acetylsalicylryl chloride O-Acetylsalicyloyl chloride 2-(acetyloxy)-benzoylchlorid 2-(chlorocarbonyl)phenyl acetate 2-(Chlorocarbonyl)phenyl acetate Benzoyl chloride, 2-(acetyloxy)-
CAS	5538-51-2
EINECS	226-899-1
InChI	InChI=1/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3

Molecular Formula	C9H7ClO3
Molar Mass	198.6
Density	1.3219 (rough estimate)
Melting Point	45-49 °C (lit.)
Boling Point	107-110 °C/0.1 mmHg (lit.)
Flash Point	>230°F
Water Solubility	Soluble in toluene. Reacts with water.
Vapor Presure	6.01E-05mmHg at 25°C
Appearance	powder to lump
Color	White to Orange to Green
BRN	880372
Storage Condition	Refrigerator
Sensitive	Moisture Sensitive
Refractive Index	n20/D 1.536(lit.)
MDL	MFCD00000663
Physical and Chemical Properties	Melting Point 48-52 °c, boiling point 107-110 °c (13.3), refractive index 1.5360, flash point 110 °c.
Use	Used as a pharmaceutical Intermediate

Risk Codes	R22 - Harmful if swallowed R34 - Causes burns R37 - Irritating to the respiratory system R29 - Contact with water liberates toxic gas
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	UN 3261 8/PG 2
WGK Germany	3
FLUKA BRAND F CODES	3-10-21
HS Code	29163900
Hazard Note	Irritant/Corrosive/Moisture Sensitive
Hazard Class	8
Packing Group	II

NIST chemical information	information provided by: webbook.nist.gov (external link)
Use	pharmaceutical intermediates. For the production of new anticoagulant anti-coagulation drugs, hormone anti-inflammatory drugs and the treatment of wind temperature, anti-inflammatory, antipyretic analgesics, such as pain. used as pharmaceutical intermediates
production method	acetylsalicylic acid as raw material, obtained by chlorination. One part of acetylsalicylic acid and 0.0055 parts of pyridine were added to a dry reaction tank, and 0.91 parts of thionyl chloride was added dropwise at a controlled temperature of 50 ° C. Or less. When the temperature was raised to 90 ° C. And the reactant was dissolved in yellow, the reaction was continued for 2.5h. Amounts of thionyl chloride and pyridine were distilled under reduced pressure at 90-100 °c to obtain O-acetoxybenzoyl chloride. The yield was 95%. Another method also uses acetylsalicylic acid and thionyl chloride as raw materials, but uses anhydrous aluminum trichloride in anhydrous benzene for 3H at 50-55 °c in the first hour, 60-65 °c in the second hour, and 73-79 °c in the third hour. The formulation (weight) ratio was: acetylsalicylic acid: sulfoxide chloride: aluminum trichloride: benzene = 1:0.56:0.02:3. The yield was more than 91%.

Last Update：2024-04-09 15:16:51

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