CAS No.2670-38-4,3,4-DICHLOROBENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2670-38-4
Name:	3,4-DICHLOROBENZAMIDE
Article Data:	22

Formula:	C₇H₅Cl₂NO
Molecular Weight:	190.029
Synonyms:	NSC 23779;3,4-Dichlorobenzamide;
Density:	1.439 g/cm³
Melting Point:	140 °C
Boiling Point:	281.2 °C at 760 mmHg
Flash Point:	123.9 °C
Risk Codes:	R36/37/38
PSA:	43.09000
LogP:	2.79260

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Specification

This chemical is called Benzamide, 3,4-dichloro-, and its systematic name is 3,4-Dichlorobenzamide. With the CAS registry number of 2670-38-4, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Chlorine Compounds. In addition, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the Benzamide, 3,4-dichloro- can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.54; (6)ACD/BCF (pH 7.4): 25.54; (7)ACD/KOC (pH 5.5): 353.95; (8)ACD/KOC (pH 7.4): 353.95; (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: 123.9 °C; (20)Enthalpy of Vaporization: 52 kJ/mol; (21)Boiling Point: 281.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00361 mmHg at 25°C.

Production method of this chemical: The Benzamide, 3,4-dichloro- could be obtained by the reactant of 3,4-dichloro-benzonitrile. This reaction needs the reagent of NaBO₃*4H₂O, and the solvent of dioxane, H₂O. The yield is 77 %. In addition, this reaction should be taken for 1 hour at the temperature of 89 °C.

Uses of this chemical: The 3,4-dichloro-benzonitrile could be obtained by the reactant of Benzamide, 3,4-dichloro-. This reaction needs the reagent of thionyl chloride, and the solvent of chlorobenzene. The yield is 93 %. This reaction should be taken for 15 hours with the heating.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(C(=O)N)cc1Cl
2.InChI: InChI=1/C7H5Cl2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
3.InChIKey: XURBWYCGQQXTHJ-UHFFFAOYAS