CAS No.85-99-4,2'-Benzoylacetanilide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	85-99-4
Name:	2'-Benzoylacetanilide
Article Data:	39

Formula:	C₁₅H₁₃NO₂
Molecular Weight:	239.274
Synonyms:	Acetanilide,2'-benzoyl- (6CI,8CI);2-Acetamidobenzophenone;2-Acetylaminobenzophenone;2'-Benzoylacetanilide;N-(o-Benzoylphenyl)acetamide;NSC 126369;acetamide, N-(2-benzoylphenyl)-;
Density:	1.192 g/cm³
Melting Point:	87 °C
Boiling Point:	477 °C at 760 mmHg
Flash Point:	196.2 °C
Appearance:	light yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	46.17000
LogP:	2.94900

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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,