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Benzamide,2,3-dimethyl-

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Name

Benzamide,2,3-dimethyl-

EINECS N/A
CAS No. 5580-34-7 Density 1.06 g/cm3
PSA 43.09000 LogP 2.10260
Solubility N/A Melting Point 154 °C
Formula C9H11NO Boiling Point 237.7 °C at 760 mmHg
Molecular Weight 149.192 Flash Point 97.6 °C
Transport Information N/A Appearance N/A
Safety 26-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5580-34-7 (2,3-DIMETHYLBENZAMIDE) Hazard Symbols N/A
Synonyms

2,3-Dimethylbenzamide;Hemellitamide;2,3-dimethylbenzamide;Dimethylbenzamide;

Article Data 4

Benzamide,2,3-dimethyl- Specification

The Benzamide,2,3-dimethyl-, with the CAS registry number 5580-34-7, has the systematic name and IUPAC name of 2,3-dimethylbenzamide. It belongs to the following product categories: Amide; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines. And the molecular formula of the chemical is C9H11NO.

The characteristics of Benzamide,2,3-dimethyl- are as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.77; (6)ACD/BCF (pH 7.4): 10.77; (7)ACD/KOC (pH 5.5): 190.73; (8)ACD/KOC (pH 7.4): 190.73; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 44.83 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 17.77×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 97.6 °C; (20)Enthalpy of Vaporization: 47.46 kJ/mol; (21)Boiling Point: 237.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0441 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 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(c1cccc(c1C)C)N
(2)InChI: InChI=1/C9H11NO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H2,10,11)
(3)InChIKey: IZAYISYTIWLBNB-UHFFFAOYAV

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