-
Name
2-IODOBENZAMIDE
- EINECS
- CAS No. 3930-83-4
- Article Data30
- CAS DataBase
- Density 1.897 g/cm3
- Solubility
- Melting Point 184 °C
- Formula C7H6INO
- Boiling Point 322.518 °C at 760mmHg
- Molecular Weight 247.035
- Flash Point 148.854 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Benzamide,o-iodo- (6CI,7CI,8CI);2-Iodobenzamide;NSC 136970;o-Iodobenzamide;
- PSA 43.09000
- LogP 2.09040
Benzamide, 2-iodo- 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.
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%.
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. |
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