3-Cyano-4-isopropoxybenzoic acid

Basic Information

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CAS Number

258273-31-3

Molecular Formula

C11H11NO3

Molecular Weight

205.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

155-156°C

Boiling Point

371.4°C at 760 mmHg

SMILES

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CC(C)OC1=C(C=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C11H11NO3/c1-7(2)15-10-4-3-8(11(13)14)5-9(10)6-12/h3-5,7H,1-2H3,(H,13,14)

InChIKey

FQGLEMDXDTZJMJ-UHFFFAOYSA-N

LogP

2.04368

Complexity

279

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

3-Cyano-4-[(propan-2-yl)oxy]benzoic acid
3-Cyano-4-isopropoxy-benzoic acid
3-cyano-4-(propan-2-yloxy)benzoic acid
3-Cyano-4-((1-methylethyl)oxy)benzoic acid
3-Cyano-4-(1-methylethoxy)benzoic acid
Benzoic acid, 3-cyano-4-(1-methylethoxy)-
AKOS015920495
RP-101124
258273-31-3
6HGE0YD4NJ
UNII-6HGE0YD4NJ
RP101124
3-CYANO-4-ISOPROPOXYBENZOICACID
3-cyano-4-isopropyloxybenzoic acid
3-cyano-4-isopropoxybenzoic acid
MFCD09271830
CS-W008716
DTXSID70620774
FT-0698118
EN300-7373246
AM84186
A818043
SCHEMBL403398
3-cyano-4-propan-2-yloxybenzoic acid
3-cyano-4-[(1-methylethyl)oxy]benzoic acid
BCP13767
FQGLEMDXDTZJMJ-UHFFFAOYSA-N
SY046869
AS-11298
3-Cyano-4-isopropoxybenzoic acid
3-cyano-4-(1-methylethyloxy)benzoic acid

MDL Number

MFCD09271830

Customs Code

2926909090

FAQ

What is 3-Cyano-4-isopropoxybenzoic acid (CAS: 258273-31-3)?

3-Cyano-4-isopropoxybenzoic acid is an organic compound with the molecular formula C9H10NO2. It is characterized by a cyano group and an isopropoxy substituent. This compound is typically used in the synthesis of pharmaceuticals and as a research reagent.

What are the main uses of 3-Cyano-4-isopropoxybenzoic acid (CAS: 258273-31-3)?

3-Cyano-4-isopropoxybenzoic acid is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in research as a reagent for organic synthesis and as a starting material for further chemical derivatization.

Is 3-Cyano-4-isopropoxybenzoic acid (CAS: 258273-31-3) safe?

3-Cyano-4-isopropoxybenzoic acid is generally safe when handled with appropriate precautions. It is important to follow safety guidelines, including the use of gloves and goggles, to protect against skin contact and eye exposure. Ingestion or inhalation should be avoided, and it should be stored in a cool, dry place away from direct sunlight.

How should 3-Cyano-4-isopropoxybenzoic acid (CAS: 258273-31-3) be stored?

3-Cyano-4-isopropoxybenzoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed, dark-colored container to protect it from light and moisture. The storage temperature should be maintained below 30°C to prevent degradation and ensure stability.