3,4,5-Trifluorobenzonitrile

Basic Information

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CAS Number

134227-45-5

Molecular Formula

C7H2F3N

Molecular Weight

157.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

45.0 to 49.0 deg-C

Boiling Point

69°C/10mmHg

Flash Point

62 ºC

SMILES

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C1=C(C=C(C(=C1F)F)F)C#N

InChI

InChI=1S/C7H2F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H

InChIKey

XFKYJMGXZXJYBS-UHFFFAOYSA-N

LogP

1.97558

Complexity

173

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SCHEMBL157603
MFCD00074948
3,4,5-trifluoro-benzonitrile
J-006501
134227-45-5
PS-10157
CS-W019259
AKOS005622524
Z838972316
3,4,5-Trifluorobenzonitrile, 99%
BENZONITRILE, 3,4,5-TRIFLUORO-
T2370
3,4,5-Trifluoro-1-cyano benzene
FT-0614139
3,4,5-Trifluorobenzonitrile
CK2155
DTXSID10344003
W-104741
InChI=1/C7H2F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2
EN300-55728
AM20060084
AC-4108
3,4,5-TRIFLUORO-1-CYANO BENZENE
3,4,5-trifluorobenzenecarbonitrile
PubChem1573
KSC493S4J
3,4,5-?Trifluorobenzonitrile
STK802220
SBB063861
BBL011049
VZ25422

MDL Number

MFCD00074948

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3,4,5-Trifluorobenzonitrile (CAS: 134227-45-5)?

3,4,5-Trifluorobenzonitrile (CAS: 134227-45-5) is a colorless to white crystalline solid with a molecular weight of approximately 181.08 g/mol. It is relatively insoluble in water but soluble in organic solvents such as ethanol, acetone, and dichloromethane. Chemically, it is highly reactive, particularly towards nucleophiles and electrophiles, making it useful in various organic synthesis reactions.

How is 3,4,5-Trifluorobenzonitrile (CAS: 134227-45-5) typically synthesized?

3,4,5-Trifluorobenzonitrile can be synthesized via the alkylation of 3,4,5-trifluorobenzoic acid with ammonia or its derivatives. Another method involves the reaction of 3,4,5-trifluorobenzoic anhydride with hydrogen cyanide. These synthesis methods provide good yields and selectivity, making them suitable for industrial production.

What industries use 3,4,5-Trifluorobenzonitrile (CAS: 134227-45-5)?

3,4,5-Trifluorobenzonitrile (CAS: 134227-45-5) is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the production of polymers and electronic materials. It is also utilized in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3,4,5-Trifluorobenzonitrile (CAS: 134227-45-5)?

When handling 3,4,5-Trifluorobenzonitrile (CAS: 134227-45-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled with caution, using appropriate clean-up materials, and the area should be thoroughly cleaned. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.