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Acetamide,N-(2-benzoylphenyl)-

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Name

Acetamide,N-(2-benzoylphenyl)-

EINECS N/A
CAS No. 85-99-4 Density 1.192 g/cm3
PSA 46.17000 LogP 2.94900
Solubility N/A Melting Point 87 °C
Formula C15H13NO2 Boiling Point 477 °C at 760 mmHg
Molecular Weight 239.274 Flash Point 196.2 °C
Transport Information N/A Appearance light yellow powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85-99-4 (2'-Benzoylacetanilide) Hazard Symbols IrritantXi
Synonyms

Acetanilide,2'-benzoyl- (6CI,8CI);2-Acetamidobenzophenone;2-Acetylaminobenzophenone;2'-Benzoylacetanilide;N-(o-Benzoylphenyl)acetamide;NSC 126369;acetamide, N-(2-benzoylphenyl)-;

Article Data 39

Acetamide,N-(2-benzoylphenyl)- Specification

The Acetamide,N-(2-benzoylphenyl)-, with the CAS registry number 85-99-4, has the systematic name and IUPAC name of N-(2-benzoylphenyl)acetamide. It is a kind of light yellow powder, and the molecular formula of the chemical is C15H13NO2.

The characteristics of Acetamide,N-(2-benzoylphenyl)- are as followings: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.55; (6)ACD/BCF (pH 7.4): 149.55; (7)ACD/KOC (pH 5.5): 1254.08; (8)ACD/KOC (pH 7.4): 1254.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 70.31 cm3; (15)Molar Volume: 200.6 cm3; (16)Polarizability: 27.87×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 196.2 °C; (20)Enthalpy of Vaporization: 74.08 kJ/mol; (21)Boiling Point: 477 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc2ccccc2C(=O)c1ccccc1)C
(2)InChI: InChI=1/C15H13NO2/c1-11(17)16-14-10-6-5-9-13(14)15(18)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17)
(3)InChIKey: MRXZRJQRQWTKIX-UHFFFAOYAB

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   French Demande Patent Document. Vol. #2563M,

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