CAS No.3930-83-4,2-IODOBENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3930-83-4
Name:	2-IODOBENZAMIDE
Article Data:	30

Formula:	C₇H₆INO
Molecular Weight:	247.035
Synonyms:	Benzamide,o-iodo- (6CI,7CI,8CI);2-Iodobenzamide;NSC 136970;o-Iodobenzamide;
Density:	1.897 g/cm³
Melting Point:	184 °C
Boiling Point:	322.518 °C at 760mmHg
Flash Point:	148.854 °C
PSA:	43.09000
LogP:	2.09040

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Specification

The Benzamide, 2-iodo-, also known as o-Iodobenzamide, is the organic compound with the formula C₇H₆INO. It belongs to the product categories of Anilines, Amides & Amines; Iodine Compounds. With the CAS registry number 3930-83-4, its IUPAC name is 2-iodobenzamide.

Physical properties of Benzamide, 2-iodo-: (1)XLogP3: 0.9; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 2; (6)Exact Mass: 246.949407; (7)MonoIsotopic Mass: 246.949407; (8)Topological Polar Surface Area: 43.1; (9)Heavy Atom Count: 10; (10)Formal Charge: 0; (11)Complexity: 138; (12)Isotope Atom Count: 0; (13)Covalently-Bonded Unit Count: 1.

Preparation of Benzamide, 2-iodo-: this chemical can be prepared by 2-iodo-benzoyl chloride. This reaction is a kind of Substitution which needs reagent NH₃ and solvent benzene.

Benzamide, 2-iodo- can be prepared by 2-iodo-benzoyl chloride

Uses of Benzamide, 2-iodo-: it can be used to produce o-Phenylethynylbenzamide by heating. This reaction will need reagent pyridine with reaction time of 0.5 hour. The yield is about 73.2%.

Benzamide, 2-iodo- can be used to produce o-Phenylethynylbenzamide by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)N)I
(2)InChI: InChI=1S/C7H6INO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
(3)InChIKey: YEOYYWCXWUDVCX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	unreported	1gm/kg (1000mg/kg)		Pharmaceutical Chemistry Journal Vol. 28, Pg. 335, 1994.