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. |
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