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| CAS No.: | 2008-58-4 |
|---|---|
| Name: | 2,6-Dichlorobenzamide |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C7H5Cl2NO |
| Molecular Weight: | 190.029 |
| Synonyms: | BAM;NSC 53137;Benzamide, 2,6-dichloro-;DCB; |
| EINECS: | 217-918-4 |
| Density: | 1.439 g/cm3 |
| Melting Point: | 196-199 °C(lit.) |
| Boiling Point: | 266.482 °C at 760 mmHg |
| Flash Point: | 114.964 °C |
| Solubility: | 2.7g/L(22.5 oC) |
| Appearance: | white to brown-grey crystalline powder |
| Hazard Symbols: | Xi |
| Safety: | 24/25 |
| PSA: | 43.09000 |
| LogP: | 2.79260 |
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Specification
The Benzamide,2,6-dichloro-, with the CAS registry number 2008-58-4 and EINECS registry number 217-918-4, has the systematic name and IUPAC name of 2,6-dichlorobenzamide. It is a kind of white to brown-grey crystalline powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Alpha sort; D; DAlphabetic; DIA - DIC; Pesticides&Metabolites. And the molecular formula of the chemical is C7H5Cl2NO. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Benzamide,2,6-dichloro- are as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.28; (6)ACD/BCF (pH 7.4): 4.28; (7)ACD/KOC (pH 5.5): 98.49; (8)ACD/KOC (pH 7.4): 98.49; (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: 1.596; (14)Molar Refractivity: 44.97 cm3; (15)Molar Volume: 132 cm3; (16)Polarizability: 17.82×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.439 g/cm3; (19)Flash Point: 115 °C; (20)Enthalpy of Vaporization: 50.45 kJ/mol; (21)Boiling Point: 266.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00862 mmHg at 25°C.
Preparation of Benzamide,2,6-dichloro-: This chemical can be prepared by 2,6-dichloro-benzonitrile. The reaction will need reagent NaOH and perhydrol, and the menstruum ethanol. The reaction time is 4 hours with temperature of 40-45°C, and the yield is about 81.5%.
Uses of Benzamide,2,6-dichloro-: It can react with oxalyl dichloride to produce 2,6-dichlorobenzoylisocyanate. This reaction will need reagent 1,2-dichloro-ethane. The reaction time is 24 hours with temperature of 40-45°C, and the yield is about 88%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c(Cl)cccc1Cl)N
(2)InChI: InChI=1/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
(3)InChIKey: JHSPCUHPSIUQRB-UHFFFAOYAS