CAS 14235-81-5 4-Ethynylaniline - Materials / Alfa Chemistry

NAVIGATION

4-Ethynylaniline

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Catalog Number

ACM14235815-2

CAS Number

14235-81-5

Product Name

4-Ethynylaniline

Structure

Category

Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

Synonyms

4-Aminophenylacetylene

IUPAC Name

4-ethynylaniline

Molecular Weight

17.149999999999999

Molecular Formula

C8H7N=

Canonical SMILES

C#CC1=CC=C(C=C1)N

InChI

InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2

InChI Key

JXYITCJMBRETQX-UHFFFAOYSA-N

Boiling Point

98-102 °C / 760 mmHg

Melting Point

104 °C

Purity

>98.0%(HPLC)

Appearance

Light yellow to Brown to Dark green powder to crystal

Application

4-Ethynylaniline is a versatile chemical compound, characterized by its white or light yellow solid form, and serves various purposes in synthetic chemistry. It is essential for the synthesis of N-methyliminodiethyl 4-(4-ethynylphenyliminomethyl)benzeneboronate and plays a crucial role in preparing acetylene ligands, such as HC2-NDI, where NDI is 1,4,5,8-naphthalenediimide. Known also as a terminal alkyne and a substituted aniline, 4-ethynylaniline participates in click chemistry reactions, with its synthesis often involving 2-methyl-3-butyn-2-ol (MEBYNOL). Additionally, its ability for transition metal-catalyzed polymerization enables the formation of poly(4-ethynylaniline). Beyond its synthetic applications, 4-ethynylaniline also affects the thermal behavior of materials such as multi-walled carbon nanotubes (MWNTs) and graphene when used in surface functionalization.

Storage

Keep in dark place. Sealed in dry. Room temperature.

Complexity

123

Covalently-Bonded Unit Count

Exact Mass

117.057849g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00168824

Monoisotopic Mass

117.057849g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

XLogP3

1.3

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