3-Methyl-benzophenone

Inquiry

Molecular Formula:

C14H12O

Molecular Weight:

196.25

CAS Number:

643-65-2

Catalog Number:

643-65-2

Product Information

Molecular Formula:

C14H12O

Molecular Weight:

196.25

Description

3-Methyl-benzophenone is a chemical intermediate in the synthesis of a series of pharmaceuticals and agricultural chemicals. Leveraging its unique structure, 3-Methyl-benzophenone acts as a catalyst in the synthesis of drugs to combat cancer, diabetes, and neurodegenerative diseases.

Synonyms

(3-Methylphenyl)(phenyl)methanone; (3-Methylphenyl)phenylketone; (3-Methylphenyl)phenylmethanone; 3-Benzoyltoluene; Benzophenone, 3-methyl-; PHENYL M-TOLYL KETONE; PHENYL 3-TOLYL KETONE; M-METHYLBENZOPHENONE

IUPAC Name

(3-methylphenyl)-phenylmethanone

Canonical SMILES

CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2

InChI

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

InChI Key

URBLVRAVOIVZFJ-UHFFFAOYSA-N

Boiling Point

183-185ºC (16 mmHg)

Melting Point

0 - 2ºC

Flash Point

>235.4 °F

Purity

95%

Density

1.095

Appearance

Clear slight yellow to green liquid

Storage

Store in a cool, dry place. Store in a tightly closed container.

Refractive Index

1.60

Computed Properties

XLogP3

3.5

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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3-Methyl-benzophenone

Product Information

Computed Properties

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