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ChemicalBook--->CAS DataBase List--->54060-30-9

54060-30-9

54060-30-9 Structure

54060-30-9 Structure
IdentificationMore
[Name]

3-Aminophenylacetylene
[CAS]

54060-30-9
[Synonyms]

3-AMINOPHENYLACETYLENE
3-ETHYNYLANILINE
3-ETHYNYLBENZENEAMINE
3-ETHYNYL-PHENYLAMINE
M-AMINOPHENYL ACETYLENE
M-ETHYNYLANILINE
3-ethynyl-benzenamin
Benzenamine, 3-ethynyl-
3-Ethynyl aniline (3-aminophenylacetylene)
3-AMINOPHENYLACETYLEN
3-Aminophenylacetylene98%
Benzenamine, 3-ethynyl-(9CI)
3-Ethynyl
3-ethynylbenzenamine
3-AMINOPHENYLACETYLENE 99+%
3-Ethynlaniline
1-Amino-3-ethynylbenzene
1-Ethynyl-3-aminobenzene
[EINECS(EC#)]

258-944-6
[Molecular Formula]

C8H7N
[MDL Number]

MFCD00014779
[Molecular Weight]

117.15
[MOL File]

54060-30-9.mol
Chemical PropertiesBack Directory
[Appearance]

Clear yellowish to brown liquid
[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)
[form ]

Liquid
[pka]

3.67±0.10(Predicted)
[color ]

Clear yellow to brown
[Specific Gravity]

1.12
[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]

54060-30-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

[HS Code ]

29214900
Raw materials And Preparation ProductsBack Directory
[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-Vinylaniline-->Benzenamine, 3-ethynyl-N-methyl- (9CI)-->3-(2H-1,2,3-triazol-4-yl)aniline
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Ethynylaniline(54060-30-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear yellowish to brown liquid
[Uses]

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

Reagent in the preparation of a metabolite of Erlotinib (E625000).
[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
Spectrum DetailBack Directory
[Spectrum Detail]

3-Aminophenylacetylene(54060-30-9)MS
3-Aminophenylacetylene(54060-30-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Aminophenylacetylene, 98%(54060-30-9)
[Alfa Aesar]

3-Aminophenylacetylene, 98%(54060-30-9)
[Sigma Aldrich]

54060-30-9(sigmaaldrich)
[TCI AMERICA]

3-Ethynylaniline,>98.0%(GC)(54060-30-9)
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