3-Chloro-5-(trifluoromethyl)benzonitrile

Basic Information

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CAS Number

693245-52-2

Molecular Formula

C8H3ClF3N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

198℃

Density

1.43

Flash Point

73℃

Refractive Index

1.4800 to 1.4840

SMILES

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C1=C(C=C(C=C1C(F)(F)F)Cl)C#N

InChI

InChI=1S/C8H3ClF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H

InChIKey

RLHYYDKFOQSWIB-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

229

Safety Information

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GHS Hazard Pictograms

H311

H302

H332

H315

H319

Hazard Statement

H311 Toxic in contact with skin
Acute toxicity, dermal

H302 Harmful if swallowed
Acute toxicity, oral

H332 Harmful if inhaled
Acute toxicity, inhalation

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SCHEMBL628010
MFCD04115854
AC-4121
FT-0651935
C3307
AKOS005063749
A21346
SY102508
DTXSID40404548
D81732
AM61631
Benzonitrile, 3-chloro-5-(trifluoromethyl)-
PS-8097
3-Chloro-5-cyanobenzotrifluoride
693245-52-2
3-chloro-5-(trifluoromethyl)benzonitrile
CS-W015362
3-Chloro-5-trifluoromethyl-benzonitrile
5-chloro-3-cyanobenzotrifluoride
3-Chloro-5-(trifluoromethyl)benzonitrile
3'-Chloro-5'-(trifluoromethyl)acetophenone
5-CHLORO-3-CYANOBENZOTRIFLUORIDE
5-chloro-3-cyano benzotrifluoride
PubChem16810
RLHYYDKFOQSWIB-UHFFFAOYSA-N
SBB064478
PC6915
3-Chloro-5-trifluoromethylbenzonitrile
TRA0039277
FCH1325695
AS

MDL Number

MFCD04115854

Customs Code

2926909090

FAQ

What is 3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2)?

3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2) is an organic compound with the chemical formula C₉H₅ClF₃NC. It is a colorless liquid with a distinctive odor. This compound is used in the synthesis of pharmaceuticals, as a reagent in organic chemistry, and in some industrial applications due to its chemical stability and reactivity.

What are the main uses of 3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2)?

3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2) is primarily used in the synthesis of pharmaceuticals, particularly in the production of antiviral and anti-inflammatory drugs. It is also used as a reagent in organic chemistry for its reactivity, and in some industrial applications for its unique chemical properties.

Is 3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2) safe?

3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2) can be safe to handle with appropriate precautions. However, it is important to follow safety guidelines, including wearing protective gloves and goggles, and working in a well-ventilated area. It is not toxic if ingested, but can cause skin irritation and respiratory issues if not handled properly.

How should 3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2) be stored?

3-Chloro-5-(trifluoromethyl)benzonitrile (CAS: 693245-52-2) 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 evaporation and contamination. It is best stored at room temperature (15-25°C) and away from incompatible materials like oxidizers and reducing agents.