2-Methylbenzophenone

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Molecular Formula:

C14H12O

Molecular Weight:

196.24

CAS Number:

131-58-8

Catalog Number:

131-58-8

Product Information

Molecular Formula:

C14H12O

Molecular Weight:

196.24

Description

An impurity of Orphenadrine, which is a skeletal muscle relaxant, it acts in the central nervous system to produce its muscle relaxant effects.

Synonyms

Methanone, (2-methylphenyl)phenyl-; Benzophenone, 2-methyl-; (Phenyl)(o-tolyl)methanone; 2-Methylphenyl phenyl ketone; NSC 67362; o-Benzoyltoluene; o-Methylbenzophenone; o-Tolyl phenyl ketone; Phenyl 2-methylphenyl ketone; Phenyl 2-tolyl ketone; Phenyl o-tolyl ketone; Phenyl(2-tolyl)methanone

IUPAC Name

(2-methylphenyl)-phenylmethanone

Canonical SMILES

CC1=CC=CC=C1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3

InChI Key

CKGKXGQVRVAKEA-UHFFFAOYSA-N

Boiling Point

308°C

Melting Point

<-18°C

Flash Point

>235.4 °F

Purity

≥95%

Density

1.1098 g/cm3

Solubility

Soluble in Chloroform (Slightly), Methanol (Slightly)

Appearance

Colourless Oily Matter

Storage

Store at 2-8°C

Refractive Index

n20/D 1.5958 (lit.)

LogP

3.22600

Safety Information

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

3.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.088815002 g/mol

Monoisotopic Mass

196.088815002 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

215

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-Methylbenzophenone

Product Information

Safety Information

Computed Properties

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