4-(Trifluoromethoxy)aniline

CAS Number: 461-82-5

Molecular Formula: C7H6F3NO

Purity: 4-(Trifluoromethoxy)aniline 98% purity

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About 4-(Trifluoromethoxy)aniline

4-Trifluoromethoxyaniline (CAS 461-82-5) is increasingly becoming a pivotal building block within the API intermediates market, particularly for the synthesis of advanced fluorinated neurological and anti-cancer agents where high purity fine chemicals (Pharma/API purity 99% | General Industry purity 98%) are mandatory ...

Synonyms

4-(trifluoromethoxy)aniline
4-TFMeA
4-trifluoromethoxyaniline
4-(Trifluoromethoxy)aniline
461-82-5

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4-(Trifluoromethoxy)aniline Specifications

CAS Number

461-82-5

Molecular Formula

C7H6F3NO

Molecular Weight

177.12 g/mol

IUPAC Name

4-(trifluoromethoxy)aniline

Canonical SMILES

C1=CC(=CC=C1N)OC(F)(F)F

InChI Key

XUJFOSLZQITUOI-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

EINECS Number

207-317-5

MDL Number

MFCD00041314

HSN No

29222990

CAS Number

461-82-5

Molecular Formula

C7H6F3NO

Molecular Weight

177.12 g/mol

IUPAC Name

4-(trifluoromethoxy)aniline

Canonical SMILES

C1=CC(=CC=C1N)OC(F)(F)F

InChI Key

XUJFOSLZQITUOI-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

EINECS Number

207-317-5

MDL Number

MFCD00041314

HSN No

29222990

Molecular Weight

177.12 g/mol

Purity

4-(Trifluoromethoxy)aniline 98% purity

Boiling Point

73-75 °C/10 mmHg (lit.)

Flash Point

81 °C

Density

1.32 g/mL at 20 °C

Precise Quality

461-82-5

PSA

35.3 Å²

logP

2.2

Average mass

177.12 g/mol

Monoisotopic mass

177.04014830 Da

Molar mass

177.12 g/mol

Vapour pressure

2.97 mmHg at 25°C

Pharmaceutical Intermediate

An important building block utilized in the synthesis of various medicinal compounds and active pharmaceutical ingredients, particularly those targeting neurological disorders

Agrochemical Intermediate

A key component used in the formulation of agricultural chemicals, providing improved pest resistance and crop yield

Material Science Building Block

A functionalized aniline derivative incorporated into polymers and coatings to offer enhanced thermal stability and chemical resistance

Organic Synthesis Reagent

A versatile starting material used in the synthesis of side-group liquid-crystalline polymethacrylates, 3-(quinolin-3-yl)acrylates, and novel Schiff bases