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
• 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
• 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]
• 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