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30000-61-4

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30000-61-4 Structure

30000-61-4 Structure
IdentificationBack Directory
[Name]

(PYRROLYL-3)-4 BUTANOIC ACID
[CAS]

30000-61-4
[Synonyms]

PYRROLE-3-BUTYRIC ACID
4-(3-PYRROLYL)BUTYRIC ACID
1H-Pyrrole-3-butanoic acid
(PYRROLYL-3)-4 BUTANOIC ACID
4-(1H-pyrrol-3-yl)butanoicaci
4-(3-Pyrrolyl)butyric acid 95%
[Molecular Formula]

C8H11NO2
[MDL Number]

MFCD07438025
[MOL File]

30000-61-4.mol
[Molecular Weight]

153.18
Chemical PropertiesBack Directory
[Melting point ]

91-95 °C
[storage temp. ]

-20°C
[form ]

solid
[InChI]

1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
[InChIKey]

ZILGRACWFSKIFU-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCc1cc[nH]c1
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 64, p. 3379, 1999 DOI: 10.1021/jo9823339
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