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4-Chloro-α-methylstyrene

4-Chloro-α-methylstyrene

Name: 4-Chloro-α-methylstyrene
Brand: BOC Sciences
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Molecular Formula:

C9H9Cl

Molecular Weight:

152.62

CAS Number:

1712-70-5

Catalog Number:

1712-70-5

Product Information

Molecular Formula:

C9H9Cl

Molecular Weight:

152.62

Description

4-Chloro-α-methylstyrene is an essential compound used in biomedicine. It plays a significant role in the treatment of various diseases as an intermediate in the synthesis of pharmaceuticals. With its unique chemical properties, it finds application in the development of drugs targeting inflammation, cancer, and autoimmune disorders.

Synonyms

P-CHLORO-ALPHA-METHYLSTYRENE; 1-Chloro-4-isopropenylbenzene; Benzene, 1-chloro-4-(1-methylethenyl)-; 2-(4-CHLOROPHENYL)PROPENE; 4-CHLORO-ALPHA-METHYLSTYRENE; 4-CHLORO-A-METHYLSTYRENE

IUPAC Name

1-chloro-4-prop-1-en-2-ylbenzene

Canonical SMILES

CC(=C)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3

InChI Key

WQDGTJOEMPEHHL-UHFFFAOYSA-N

Boiling Point

205-207°C

Melting Point

3.5°C

Flash Point

73 °C

Purity

95%

Density

1.075

Appearance

clear colorless to pale yellow liquid

Storage

0-6°C

Safety Information

Hazards

H411:
Toxic to aquatic life with long-lasting effects.

Precautionary Statement

P273:
Avoid release to the environment.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

4.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

152.0392780 g/mol

Monoisotopic Mass

152.0392780 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

121

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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4-Chloro-α-methylstyrene

Product Information

Safety Information

Computed Properties

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