NAVIGATION


Benzamide

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]
Color/Form
Colorless crystals;Monoclinic prisms or plates from water
Complexity
106
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
200-227-7
Exact Mass
121.0527
Formal Charge
0
Hazard Statements
Xn
Heavy Atom Count
9
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
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
1
Safety Description
22-24/25-36/37
Supplemental Hazard Statements
H302-H341
Topological Polar Surface Area
43.1 Ų
UNII
6X80438640
XLogP3
0.6
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