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

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Benzamide

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Catalog Number

ACM55210

Product Name

Benzamide

Structure

CAS

55-21-0

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

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