ChemicalBook > CAS DataBase List > 3-Ethynylaniline

3-Ethynylaniline

Product Name
3-Ethynylaniline
CAS No.
54060-30-9
Chemical Name
3-Ethynylaniline
Synonyms
3-ETHYNYLANILINE;3-ETHYNYL-PHENYLAMINE;3-EthynylbenzaMine;M-AMINOPHENYL ACETYLENE;SOLI-006;3-Ethynyl;Erlotinib-8;Erlotinib INT;3-Ethynlaniline;m-Ethnylaniline
CBNumber
CB4417819
Molecular Formula
C8H7N
Formula Weight
117.15
MOL File
54060-30-9.mol
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3-Ethynylaniline Property

Melting point:
27°C
Boiling point:
92-93 °C (2 mmHg)
Density 
1.04
refractive index 
1.614-1.616
Flash point:
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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
498289
Product name
3-Ethynylaniline
Purity
≥98%
Packaging
5g
Price
$61.2
Updated
2024/03/01
TCI Chemical
Product number
A1122
Product name
3-Ethynylaniline
Purity
>98.0%(GC)
Packaging
10g
Price
$105
Updated
2021/12/16
TCI Chemical
Product number
A1122
Product name
3-Ethynylaniline
Purity
>98.0%(GC)
Packaging
25g
Price
$193
Updated
2024/03/01
Alfa Aesar
Product number
L20124
Product name
3-Aminophenylacetylene, 98%
Packaging
5g
Price
$71.65
Updated
2024/03/01
Alfa Aesar
Product number
L20124
Product name
3-Aminophenylacetylene, 98%
Packaging
25g
Price
$223.65
Updated
2024/03/01
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3-Ethynylaniline Chemical Properties,Usage,Production

Chemical Properties

Clear yellowish to brown liquid

Uses

Reagent in the preparation of a labelled metabolite of Erlotinib (E625000).

Uses

3-Aminophenylacetylene is used as a pharmaceutical intermediate.

Application

3-Ethynylaniline may be used in the synthesis of the following benzoxazine monomers: bis{4-[3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazin-6-yloxy)]phenyl}phenylphosphino-1-one, [3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazaperhydroin-6-yl)][3-(3-ethynylphenyl)(2H,4H-benzo[3,4-e]1,3-oxazin-6-yl)]phenylphosphino-1-one, and bis[3-(3-ethynylphenyl)(2H,4Hbenzo[3,4-e]1,3-oxazin-6-yl)oxy]phenylphosphino-1-one.
It may be used: To synthesize succin(m-ethynyl)dianilide and sebaco(m-ethynyl)dianilide. As a reagent in the multi-step synthesis of erlotinib hydrochloride. To prepare 3-(3-ethynylphenyl)-6-methyl-2H, 4H-benzo[e]1,3-oxazine. To prepare 3-[3-(4-acetylamino-benzyl)-[1,2,4]oxadiazol-5- yl]-N-(3-ethynyl-phenyl)-propionamide.

General Description

3-Ethynylaniline is a terminal alkyne that can be prepared by the reduction of 3-ethylnylnitrobenzene.

reaction suitability

reaction type: click chemistry

3-Ethynylaniline Preparation Products And Raw materials

Raw materials

Stannous chloride dihydrate Hydrazinium hydroxide solution Ethanol Iron chloride hexahydrate 3-NITROPHENYLACETYLENE Activated carbon

Preparation Products

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3-Ethynylaniline Suppliers

Americas 1 Belgium 4 Canada 1 China 478 Europe 4 Germany 6 India 67 Japan 4 South Korea 1 Switzerland 2 Ukraine 2 United Kingdom 15 United States 44 Global 629
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View Lastest Price from 3-Ethynylaniline manufacturers

Shanghai UCHEM Inc.
Product
3-Aminophenylacetylene 54060-30-9
Price
US $14.00-264.00/g
Min. Order
25g
Purity
0.98
Supply Ability
25kg
Release date
2024-10-29
Nanjing Fred Technology Co., Ltd
Product
3-Aminophenylacetylene 54060-30-9
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%(HPLC)
Supply Ability
2000kg/Year
Release date
2023-12-14
Hebei Weibang Biotechnology Co., Ltd
Product
3-Aminophenylacetylene 54060-30-9
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-01

54060-30-9, 3-EthynylanilineRelated Search:

4-Aminobenzoic acid 2-BENZOYLACETANILIDE Aniline Methyl anthranilate Diphenylamine 3-Aminobenzenesulfonamide Sulfanilic acid Metanilic acid Acetylene Sulfanilamide p-Anisidine 2-Aminobenzaldehyde Diphenylacetylene Phenylacetylene N,N-Dimethylaniline Benzidine EMERALDINE BASE POLYANILINE 6,7-Bis-(2-methoxyethoxy)-4(3H)-quinazolinone

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