Benzamide

• CAS: 55-21-0
• Catalog Number: ACM55210
• Category: Inhibitors
• Molecular Weight: 121.13
• Molecular Formula: C7H7NO
• Description: Benzamide is a white powder. (NTP, 1992);Solid;Solid
• Synonyms: Benzoylamide
• IUPAC Name: benzamide
• SMILES: C1=CC=C(C=C1)C(=O)N
• InChI: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
• InChI Key: KXDAEFPNCMNJSK-UHFFFAOYSA-N
• Boiling Point: 554 °F at 760 mm Hg (NTP, 1992);290.0 °C;288 °C
• Melting Point: 270 to 271 °F (NTP, 1992);129.1 °C;130 °C;129.1°C
• Flash Point: 180°C
• Density: 1.0792 at 266 °F (NTP, 1992);1.341
• Solubility: less than 1 mg/mL at 72.5° F (NTP, 1992);0.11 M;> 10% in benzene;1 g in 6 ml ethanol; 1 g in 3.3 ml pyridine;Soluble in ammonia;Slightyl soluble in ethyl ether, benzene; very soluble in ethyl alcohol, carbon tetrachloride, carbon disulfide.;In water, 1.35X10+4 mg/l @ 25 °C;13500 mg/L at 25 °C;>18.2 [ug/mL]
• Application: Benzamide is primarily utilized for studying the photocatalytic decomposition mechanisms of certain aqueous solutions, such as acetic acid, acetamide, and acetonitrile, when combined with semiconductors. It plays a crucial role in developing robust screening methods for analyzing biotransformations using the (+)-γ-lactamase enzyme. Additionally, benzamide is significant in organic synthesis and can undergo radioiodination through different labeling procedures to produce radioiodinated benzamides. These radioiodinated derivatives have potential therapeutic applications, particularly in treating patients with metastatic malignant melanoma. As an aromatic amide, benzamide consists of a benzene ring with a carboxamido group and is known for being combustible and slightly soluble in water. Its molecular structure features a non-planar arrangement due to the rotational characteristics between the amide group and the aromatic ring, resulting from repulsive interactions between the respective hydrogen atoms.
• Color/Form: Colorless crystals;Monoclinic prisms or plates from water
• Complexity: 106
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomp it emits toxic fumes of /nitrogen oxides/.
• Defined Atom Stereocenter Count: 0
• EC Number: 200-227-7
• Exact Mass: 121.0527
• Formal Charge: 0
• Hazard Statements: Xn
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• LogP: 0.64 (LogP);log Kow= 0.64;0.818
• Monoisotopic Mass: 121.0527
• NSC Number: 3114
• Other Experimental: Dipole moment: 3.6 debyes;Benzamide can be transformed to phenyl isocyanate @ 60 °C & @ normal pressure;Heat of formation: -48.42 kcal/mole @ 25 °C;Henry's Law constant = 2.45X10-10 atm-cu m/mol @ 25 °C
• Rotatable Bond Count: 1
• Safety Description: 22-24/25-36/37
• Supplemental Hazard Statements: H302-H341
• Symbol: GHS08,GHS07
• Topological Polar Surface Area: 43.1 Ų
• UNII: 6X80438640
• XLogP3: 0.6
• XLogP3-AA: 0.6