CAS No.530-75-6,Acetylsalicylsalicylic Acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	530-75-6
Name:	Acetylsalicylsalicylic Acid
Article Data:	14

Formula:	C₁₆H₁₂O₆
Molecular Weight:	300.268
Synonyms:	Salicylicacid, salicylate, acetate (8CI);Acesalum;Acetylsalicylsalicylic acid;Diplosal acetate;Diplosalacetat;Salicylacetylsalicylic acid;
EINECS:	208-493-6
Density:	1.346 g/cm³
Melting Point:	153-160 °C
Boiling Point:	540.1 °C at 760 mmHg
Flash Point:	203.9 °C
Solubility:	20mg/L(21 oC)
Appearance:	White to almost white fine crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
PSA:	89.90000
LogP:	2.52930

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Specification

The Benzoic acid,2-(acetyloxy)-, 2-carboxyphenyl ester is an organic compound with the formula C₁₆H₁₂O₆. The IUPAC name of this chemical is 2-(2-Acetyloxybenzoyl)oxybenzoic acid. With the CAS registry number 530-75-6, it is also named as 2-Hydroxybenzoic acid Acetate 2-carboxyphenyl ester. The categories of the product are Chemical Impurities; Impurities; Intermediates and Fine Chemicals; Pharmaceuticals. Besides, it should be stored in a cool, sealed, dry place. It is white to almost white fine crystalline powder.

The physical properties of Benzoic acid,2-(acetyloxy)-, 2-carboxyphenyl ester are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): -0.09; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.6; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 78.9 Å²; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 76.16 cm³; (14)Molar Volume: 223 cm³; (15)Polarizability: 30.19×10^-24 cm³; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.346 g/cm³; (18)Flash Point: 203.9 °C; (19)Enthalpy of Vaporization: 86.05 kJ/mol; (20)Boiling Point: 540.1 °C at 760 mmHg; (21)Vapour Pressure: 1.7E-12 mmHg at 25 °C.

Preparation: this chemical can be prepared by Acetic acid anhydride and 2-Salicyloyloxy-benzoic acid. This reaction will need reagent cc. H₂SO₄. The yield is about 84%.

Benzoic acid,2-(acetyloxy)-, 2-carboxyphenyl ester can be obtained by Acetic acid anhydride and 2-Salicyloyloxy-benzoic acid

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2ccccc2C(=O)Oc1ccccc1C(=O)O)C
(2)InChI: InChI=1/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)
(3)InChIKey: DDSFKIFGAPZBSR-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)
(5)Std. InChIKey: DDSFKIFGAPZBSR-UHFFFAOYSA-N