CAS No.487-48-9,N-ACETYLSALICYLAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	487-48-9
Name:	N-ACETYLSALICYLAMIDE
Article Data:	20

Formula:	C₉H₉NO₃
Molecular Weight:	179.175
Synonyms:	Salicylamide,N-acetyl- (6CI,7CI,8CI);2-Hydroxy-N-acetylbenzamide;Acetsalicylamide;Actylamide;Arthrisin;Ethrisin;Labazyl;N-Acetylsalicylamide;NSC 40153;NSC525079;NSC 631657;Nacemide;Rixamone;Salacetamide;Salicyl;
EINECS:	207-656-9
Density:	1.263 g/cm³
Melting Point:	148°
Boiling Point:	375.4 °C at 760 mmHg
Flash Point:	180.9 °C
PSA:	66.40000
LogP:	1.05940

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Specification

The CAS register number of Benzamide,N-acetyl-2-hydroxy- is 487-48-9. It also can be called as 2-Hydroxy-N-acetylbenzamide and the systematic name about this chemical is N-acetyl-2-hydroxybenzamide. The molecular formula about this chemical is C₉H₉NO₃ and the molecular weight is 179.17.

Physical properties about Benzamide,N-acetyl-2-hydroxy- are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 2.86; (5)ACD/BCF (pH 7.4): 1.92; (6)ACD/KOC (pH 5.5): 73.75; (7)ACD/KOC (pH 7.4): 49.5; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 46.41 cm³; (14)Molar Volume: 141.8 cm³; (15)Polarizability: 18.4x10^-24cm³; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.263 g/cm³; (18)Flash Point: 180.9 °C; (19)Enthalpy of Vaporization: 64.74 kJ/mol; (20)Boiling Point: 375.4 °C at 760 mmHg; (21)Vapour Pressure: 3.6E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-acetoxy-benzamide. The reaction temperature is 100 °C.

Uses of Benzamide,N-acetyl-2-hydroxy-: it can be used to produce (2-acetoxy-benzoyl)-acetyl-amine with acetic acid anhydride. This reaction will need reagent of pyridine.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1O)NC(=O)C
(2)InChI: InChI=1/C9H9NO3/c1-6(11)10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,11,13)
(3)InChIKey: JZWFDVDETGFGFC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H9NO3/c1-6(11)10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,11,13)
(5)Std. InChIKey: JZWFDVDETGFGFC-UHFFFAOYSA-N

The toxicity data are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 5gm/kg (5000mg/kg)		German Offenlegungsschrift Patent Document. Vol. #2440378,
rat	LD50	oral	2gm/kg (2000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 205, 1947.