3,4,5-Trifluoroaniline

Basic Information

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CAS Number

163733-96-8

Molecular Formula

C6H4F3N

Molecular Weight

147.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

61.0 to 65.0 deg-C

Boiling Point

100.5°C (rough estimate)

Water Solubility

Soluble in methanol (almost transparency). Insoluble in water.

SMILES

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

InChI

InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

InChIKey

SZRDJHHKIJHJHQ-UHFFFAOYSA-N

LogP

1.6861

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

108

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3,4,5-trifluorobenzenamine
163733-96-8
3,4,5-trifluorophenylamine
3,4,5-trifluoraniline
Benzenamine, 3,4,5-trifluoro-
SZRDJHHKIJHJHQ-UHFFFAOYSA-
InChI=1/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
J-010082
CS-W007339
DTXSID40369320
MFCD00083522
SZRDJHHKIJHJHQ-UHFFFAOYSA-N
T2355
AM20060186
FT-0602463
A3636
AC-3705
SCHEMBL111459
GS-6660
NS00125490
3,4,5-Trifluoroaniline, 98%
AKOS005064042
EN300-65649
3,4,5-Trifluoroaniline
3,4,5-Trifluoroanili
3,4,5-trifluoro-phenylamine
3,4,5-Trifluroaniline
3,4,5-Trifluorophenylamine
(3,4,5-trifluorophenyl)amine
Benzenamine, 3,4,5-trifluoro- (9CI)
(3,4,5-trifluorophenyl)-(7-MethoxyMethyl-[1,4]-dioxano[2,3-g]quinazolin-4-yl)-aMine

MDL Number

MFCD00083522

Customs Code

2921420090

FAQ

What is 3,4,5-Trifluoroaniline (CAS: 163733-96-8)?

3,4,5-Trifluoroaniline is a colorless to white solid compound with the chemical formula C6H3F3N. It is used in the synthesis of dyes and pharmaceuticals, as well as in the production of other organic compounds. It has a pungent odor and is slightly soluble in water.

What are the main uses of 3,4,5-Trifluoroaniline (CAS: 163733-96-8)?

3,4,5-Trifluoroaniline is primarily used in the pharmaceutical industry for the synthesis of drugs and in the dye industry for the production of synthetic dyes. It is also used in the chemical industry for the preparation of other organic compounds and as a reagent in research.

Is 3,4,5-Trifluoroaniline (CAS: 163733-96-8) safe?

3,4,5-Trifluoroaniline is moderately toxic and should be handled with care. It is classified as a skin and eye irritant. Safety precautions include wearing protective gloves, goggles, and clothing. It is important to follow occupational safety and health guidelines and adhere to local regulations regarding the handling and storage of this compound.

How should 3,4,5-Trifluoroaniline (CAS: 163733-96-8) be stored?

3,4,5-Trifluoroaniline should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent exposure to air and moisture. The storage temperature should be below 25°C (77°F) to maintain stability. Avoid contact with oxidizers and incompatible materials.