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| CAS No.: | 54060-30-9 |
|---|---|
| Name: | 3-Aminophenylacetylene |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7N |
| Molecular Weight: | 117.15 |
| Synonyms: | Benzenamine, 3-ethynyl-;3-Ethynyl aniline;3-Ethynylbenzenamine;M-aminophenylacetylene; |
| EINECS: | 258-944-6 |
| Density: | 1.05 g/cm3 |
| Melting Point: | 27 ºC |
| Boiling Point: | 240.5 ºC at 760 mmHg |
| Flash Point: | 59 ºC |
| Solubility: | Insoluble in water. |
| Appearance: | clear yellowish to brown liquid |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39-36/37 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 26.02000 |
| LogP: | 1.83130 |
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2-methyl-4-(3-aminophenyl)-3-butyn-2-ol
- 54060-30-9
3-acetylenephenylamine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In toluene at 105 - 110℃; for 4h; Inert atmosphere; | 100% |
| With sodium hydroxide In toluene at 105 - 110℃; for 4h; Inert atmosphere; | 100% |
| With sodium hydroxide; ascorbic acid In water; toluene at 90℃; for 1h; Product distribution / selectivity; | 97.9% |
- 1364394-80-8
N‐(3‐ethynylphenyl)formamide
- 54060-30-9
3-acetylenephenylamine
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In ethanol at 70 - 75℃; for 2.5h; | 95% |
- 3034-94-4
3-nitrophenylacetylene
- 54060-30-9
3-acetylenephenylamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; iron In methanol; water Reflux; | 93.5% |
| With iron; ammonium chloride In ethanol; water at 85℃; for 3h; Solvent; Reagent/catalyst; Concentration; | 92.8% |
| With ammonium hydroxide; zinc for 24h; Ambient temperature; | 36% |
- 70933-58-3
N-(3-ethynylphenyl)acetamide
- 54060-30-9
3-acetylenephenylamine
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In ethanol at 70℃; for 2h; | 90% |
- 54060-30-9
3-acetylenephenylamine
| Conditions | Yield |
|---|---|
| With water; potassium hydroxide In ethanol at 75℃; for 3.5h; | 89% |
- 69088-96-6
2-methyl-4-(3-aminophenyl)-3-butyn-2-ol
A
- 54060-30-9
3-acetylenephenylamine
B
- 31661-59-3
3-(4-(3-aminophenyl)buta-1,3-diynyl)benzeneamine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; toluene at 90℃; for 1h; Product distribution / selectivity; | A 87.6% B 7.3% |
| Conditions | Yield |
|---|---|
| With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; N,N,N',N'-tetramethylguanidine at 60℃; for 3h; Reagent/catalyst; Schlenk technique; Inert atmosphere; Green chemistry; | 86% |
| Conditions | Yield |
|---|---|
| In isopropyl alcohol | 82% |
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7-Benzenesulfonyl-4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
- 5720-07-0
4-methoxyphenylboronic acid
B
- 54060-30-9
3-acetylenephenylamine
| Conditions | Yield |
|---|---|
| A 75% B n/a |
- 3034-94-4
3-nitrophenylacetylene
A
- 871895-82-8
1,2-bis(3-ethynylphenyl)diazene oxide
B
- 54060-30-9
3-acetylenephenylamine
| Conditions | Yield |
|---|---|
| With Ru/C; sodium hydroxide In tetrahydrofuran; ethanol at 60℃; for 18h; Microwave irradiation; | A 50% B 15% |
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Chemistry
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IUPAC Name: 3-Ethynylaniline
Molecular Formula: C8H7N
Molecular Weight: 117.15 g/mol
SMILES: C(c1cccc(N)c1)#C
InChI: InChI=1/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2
EINECS: 258-944-6
Product Categories: Amines and Anilines; Acid Anhydrides, etc. (Reagents for Conducting Polymer Research); Functionalized Acetylenes; Acetylenes; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Reagents for Conducting Polymer Research; Intermediate of erlotinib hydrochloride; Alkynes; Organic Building Blocks; Terminal
Index of Refraction: 1.589
Molar Refractivity: 37.43 cm3
Molar Volume: 110.9 cm3
Polarizability: 14.83×10-24 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.05 g/cm3
Flash Point: 111 °C
Enthalpy of Vaporization: 47.74 kJ/mol
Boiling Point: 240.5 °C at 760 mmHg
Melting Point: 27 °C
Vapour Pressure of 3-Aminophenylacetylene (CAS NO.54060-30-9): 0.0379 mmHg at 25 °C
Safety Profile
Hazard Codes: 
Xi,
F
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 1993 3/PG 3
WGK Germany of 3-Aminophenylacetylene (CAS NO.54060-30-9): 3
Specification
3-Aminophenylacetylene (CAS NO.54060-30-9), its Synonyms are 3-Ethynylaniline ; Benzenamine, 3-ethynyl- ; m-Aminophenylacetylene . It is clear yellowish to brown liquid.
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