3-Aminophenylacetylene

3-Aminophenylacetylene Basic information

Product Name:	3-Aminophenylacetylene
Synonyms:	M-ETHYNYLANILINE;M-AMINOPHENYL ACETYLENE;3-AMINOPHENYLACETYLENE;3-ETHYNYLBENZENEAMINE;3-ETHYNYL-PHENYLAMINE;3-ETHYNYLANILINE;Benzenamine, 3-ethynyl-;3-ethynyl-benzenamin
CAS:	54060-30-9
MF:	C8H7N
MW:	117.15
EINECS:	258-944-6
Product Categories:	Alkynes and Other Reagents;Building Blocks;Chemical Biology;Chemical Synthesis;Conjugation Chemistry: Azides;Functionalized Alkynes;Fluorenes, etc. (reagent for high-performance polymer research);Functional Materials;Reagent for High-Performance Polymer Research;Intermediate of erlotinib hydrochloride;Alkynes;Organic Building Blocks;Terminal;Organic Building Blocks;Amines and Anilines;Acid Anhydrides, etc. (Reagents for Conducting Polymer Research);Functionalized Acetylenes;Acetylenes;Reagents for Conducting Polymer Research;54060-30-9
Mol File:	54060-30-9.mol

3-Aminophenylacetylene Chemical Properties

Melting point	27°C
Boiling point	92-93 °C (2 mmHg)
density	1.04
refractive index	1.614-1.616
Fp	138 °F
storage temp.	2-8°C
solubility	Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
pka	3.67±0.10(Predicted)
form	Liquid
Specific Gravity	1.12
color	Clear yellow to brown
Water Solubility	Insoluble in water.
BRN	2935417
Stability:	Light Sensitive
InChIKey	NNKQLUVBPJEUOR-UHFFFAOYSA-N
CAS DataBase Reference	54060-30-9(CAS DataBase Reference)
NIST Chemistry Reference	M-aminophenylacetylene(54060-30-9)
EPA Substance Registry System	Benzenamine, 3-ethynyl- (54060-30-9)

Safety Information

Hazard Codes	Xi,F
Risk Statements	36/37/38
Safety Statements	26-36-37/39-36/37
RIDADR	UN 1993 3/PG 3
WGK Germany	3
TSCA	Yes
HazardClass	3
PackingGroup	Ⅲ
HS Code	29214990

MSDS Information

Provider	Language
3-Ethynylaniline	English
SigmaAldrich	English
ACROS	English
ALFA	English

3-Aminophenylacetylene Usage And Synthesis

Chemical Properties	Clear yellowish to brown liquid
Uses	Reagent in the preparation of a metabolite of Erlotinib (E625000).
Uses	Reagent in the preparation of a labelled metabolite of Erlotinib (E625000).
Uses	3-Aminophenylacetylene is used as a pharmaceutical intermediate.
General Description	3-Ethynylaniline is a terminal alkyne that can be prepared by the reduction of 3-ethylnylnitrobenzene.

3-Aminophenylacetylene Preparation Products And Raw materials

Raw materials	Ethanol-->Hydrazinium hydroxide solution-->Stannous chloride dihydrate-->Activated carbon-->Iron chloride hexahydrate-->3-NITROPHENYLACETYLENE
Preparation Products	Erlotinib-->(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide-->3-AMINOSTYRENE-->Benzenamine, 3-ethynyl-N-methyl- (9CI)-->3-(2H-1,2,3-triazol-4-yl)aniline

3-Aminobenzenesulfonamide Methyl anthranilate 2-BENZOYLACETANILIDE Sulfanilic acid polyphenylacetylene 4-Aminobenzoic acid 3-Aminophenylacetylene Benzidine Diphenylacetylene Sulfanilamide p-Anisidine N,N-Dimethylaniline Metanilic acid Aniline 2-Aminobenzaldehyde Acetylene Anthranilic acid Phenylacetylene

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