4-Cyanophenyl 4-butylbenzoate

Basic Information

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CAS Number

38690-77-6

Molecular Formula

C18H17NO2

Molecular Weight

279.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Melting Point

67-69 °C

Boiling Point

441.9°C at 760 mmHg

SMILES

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CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3

InChIKey

XQRFASOUJIKXRE-UHFFFAOYSA-N

LogP

4.12008

Complexity

368

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

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-Cyanophenyl 4-n-butylbenzoate
SR-01000389338
38690-77-6
DTXSID7068130
4-butylbenzoic acid (4-cyanophenyl) ester
MFCD00001816
SY061821
p-Cyanophenyl p-butylbenzoate
SCHEMBL3088004
W-106470
XQRFASOUJIKXRE-UHFFFAOYSA-N
4-Cyanophenyl 4-butylbenzoate
Benzoic acid, 4-butyl-, 4-cyanophenyl ester
Oprea1_065370
4-Cyanophenyl 4-butyl-benzoate
4-Cyanophenyl-4'-butylbenzoate
A824236
SR-01000389338-1
4-(n-butyl)benzoic acid-4'-cyanophenol ester
EINECS 254-085-6
NS00030441
RO-CE-1500
(4-cyanophenyl) 4-butylbenzoate
AKOS001483268
CS-0152349
FT-0639490
DS-6477
4-Butylbenzoic acid, 4-cyanophenyl ester
4-Cyanophenyl 4-propylbenzoate
4-Cyanophenyl-4-butylbenzoate
4-Cyanophenyl 4'-butylbenzoate

MDL Number

MFCD00001816

Customs Code

2926909090

FAQ

What is 4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6)?

4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6) is a chemical compound with the molecular formula C15H13NO2. It is a solid with a low melting point and is typically used in pharmaceuticals and research applications.

What are the main uses of 4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6)?

4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6) is primarily used as an intermediate in the synthesis of other compounds. It has applications in pharmaceuticals, where it may be used in the development of new drugs, and in research for various chemical and biological studies.

Is 4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6) safe?

4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6) is considered safe under proper handling conditions. However, it is important to follow all safety guidelines, including the use of personal protective equipment and appropriate storage conditions, to minimize risks.

How should 4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6) be stored?

4-Cyanophenyl 4-butylbenzoate (CAS: 38690-77-6) 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 moisture and light exposure. Proper ventilation should also be ensured during storage.