CAS 55-21-0 Benzamide - Materials / Alfa Chemistry

NAVIGATION

Benzamide

PRICE INQUIRY

Catalog Number

ACM55210

CAS Number

55-21-0

Product Name

Benzamide

Structure

Category

Other Material Building Blocks

Synonyms

Benzoylamide

Description

Benzamide is a white powder. (NTP, 1992);Solid;Solid

IUPAC Name

benzamide

Molecular Weight

121.13

Molecular Formula

C7H7NO

Canonical 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

Purity

98.27%

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

Defined Atom Stereocenter Count

EC Number

200-227-7

Exact Mass

121.0527

Formal Charge

Hazard Statements

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

0.64 (LogP);log Kow= 0.64;0.818

MeSH Entry Terms

benzamide

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

Safety Description

22-24/25-36/37

Supplemental Hazard Statements

H302-H341

Topological Polar Surface Area

43.1 Å²

UNII

6X80438640

XLogP3

0.6

MSDS