4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile

Basic Information

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CAS Number

1217366-74-9

Molecular Formula

C16H12BrNO3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Solubility

Insuluble (3.5E-3 g/L) (25 ºC),

SMILES

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N#Cc1ccc(cc1)Oc1ccc(c(c1)C1OCCO1)Br

InChI

InChI=1S/C16H12BrNO3/c17-15-6-5-13(9-14(15)16-19-7-8-20-16)21-12-3-1-11(10-18)2-4-12/h1-6,9,16H,7-8H2

InChIKey

LYBDMDIHPQNASE-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

382

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-(4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy)benzonitrile
4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile
AK162794
AX8294797
ST24042924

MDL Number

MFCD13195647

FAQ

What is 4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile (CAS: 1217366-74-9)?

4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile is a chemical compound with the CAS number 1217366-74-9. It is an aromatic nitrile with a bromine substituent and a 1,3-dioxolane moiety. The compound is typically colorless or white and is used in various applications, including research and pharmaceuticals.

What are the main uses of 4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile (CAS: 1217366-74-9)?

4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile is primarily used in research and development, particularly in pharmaceuticals. It serves as a starting material in the synthesis of other compounds and may have potential applications in medicinal chemistry and drug discovery.

Is 4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile (CAS: 1217366-74-9) safe?

4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile (CAS: 1217366-74-9) is generally safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and with protective equipment to avoid skin and inhalation exposure. It is important to follow safety guidelines and consult the material safety data sheet (MSDS) for detailed information.

How should 4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile (CAS: 1217366-74-9) be stored?

4-[4-Bromo-3-(1,3-dioxolan-2-yl)phenoxy]benzonitrile (CAS: 1217366-74-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and contamination. Proper storage will help maintain the stability and effectiveness of the compound.