ChemicalBook--->CAS DataBase List--->52670-38-9

52670-38-9

52670-38-9 Structure

52670-38-9 Structure
IdentificationBack Directory
[Name]

2-ETHYNYLANILINE 98
[CAS]

52670-38-9
[Synonyms]

2-Ethynylaniline
2-Ethynylaniline 98%
2-ETHYNYLANILINE 98
Erlotinib Impurity 40
2-Ethynyl-phenylaMine
2-Ethynyl-benzenaMine
2-Aminophenylacetylene
Benzenamine, 2-ethynyl-
Benzenamine, 2-ethynyl- (9CI)
Erlotinib Hydrochloride iMpurity 40
2-Ethynyl aniline (2-aminophenylacetylene)
Erlotinib Impurity 40Erlotinib Impurity 41
2-Ethynyl-Benzenamine (Erlotinib Impurity 40)
[Molecular Formula]

C8H7N
[MDL Number]

MFCD00168862
[MOL File]

52670-38-9.mol
[Molecular Weight]

117.148
Chemical PropertiesBack Directory
[Melting point ]

87-88 °C
[Boiling point ]

229-230 °C(lit.)
[density ]

1.030 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.6200(lit.)
[Fp ]

209 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

clear liquid
[pka]

1?+-.0.10(Predicted)
[color ]

Colorless to Light orange to Yellow
[InChI]

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

ALQPJHSFIXARGX-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=CC=C1C#C
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2921490090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Ethynylaniline is an impurity of erlotinib.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Ethynylaniline(52670-38-9)1HNMR
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