3,4-Dimethylbenzophenone

Inquiry

Molecular Formula:

C15H14O

Molecular Weight:

210.27

CAS Number:

2571-39-3

Catalog Number:

2571-39-3

Product Information

Molecular Formula:

C15H14O

Molecular Weight:

210.27

Description

3,4-Dimethylbenzophenone is a pharmaceutical intermediate. This compound is known for its widespread use in the synthesis of drugs for diseases such as cancer, diabetes, and inflammation, and is an indispensable chemical entity for a variety of drugs.

Synonyms

3,4-DIMETHYLBENZOPHENONE; Benzophenone, 3,4-dimethyl-; Methanone, (3,4-dimethylphenyl)phenyl-; (3,4-Dimethylphenyl)phenyl-methanone; (3,4-Dimethylphenyl)phenyl ketone; Phenyl 3,4-xylyl ketone

IUPAC Name

(3,4-dimethylphenyl)-phenylmethanone

Canonical SMILES

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

InChI

InChI=1S/C15H14O/c1-11-8-9-14(10-12(11)2)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3

InChI Key

JENOLWCGNVWTJN-UHFFFAOYSA-N

Boiling Point

354.1°C at 760 mmHg

Melting Point

45-47°C

Flash Point

235.4 °F

Purity

95%

Density

1.05 g/cm3

Appearance

White to Light yellow powder to crystal

Storage

2-8°C

Refractive Index

1.60

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

4.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

210.104465066 g/mol

Monoisotopic Mass

210.104465066 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

240

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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Volume _(start)

Concentration _(final)

Volume _(final)

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3,4-Dimethylbenzophenone

Product Information

Safety Information

Computed Properties

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