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31968-33-9

31968-33-9 Structure

31968-33-9 Structure
IdentificationMore
[Name]

2-ACETYL-3-AMINOTHIOPHENE
[CAS]

31968-33-9
[Synonyms]

1-(3-AMINO-2-THIENYL)ETHAN-1-ONE
2-ACETYL-3-AMINOTHIOPHENE
BUTTPARK 85\18-13
1-(5-Amino-2-thienyl)ethanone
2-acetylthiophene-3-amine
[Molecular Formula]

C6H7NOS
[MDL Number]

MFCD00052585
[Molecular Weight]

141.19
[MOL File]

31968-33-9.mol
Chemical PropertiesBack Directory
[Melting point ]

84-88°C
[Boiling point ]

120-125°C 0,8mm
[density ]

1.253±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[Fp ]

120-125°C/0.8mm
[storage temp. ]

2-8°C
[form ]

crystalline solid
[pka]

1.969±0.10(predicted)
[color ]

Off-white
[Water Solubility ]

Insoluble in water.
[BRN ]

1635973
[InChI]

InChI=1S/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3
[InChIKey]

MMLSKDGCLMDHAJ-UHFFFAOYSA-N
[SMILES]

C(=O)(C1SC=CC=1N)C
[CAS DataBase Reference]

31968-33-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[PackingGroup ]

III
[HS Code ]

2934999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Toluene-->n-Butyllithium-->N,N-Dimethylacetamide-->Sodium pyrophosphate decahydrate-->3,4-Dibromothiophene-->Tosyl azide
Hazard InformationBack Directory
[Uses]

Dithienopyridines was synthesised from 2-Acetyl-3-aminothiophene. Also used as fine Intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

2-ACETYL-3-AMINOTHIOPHENE(31968-33-9)1HNMR
2-ACETYL-3-AMINOTHIOPHENE(31968-33-9)IR1
2-ACETYL-3-AMINOTHIOPHENE(31968-33-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Acetyl-3-aminothiophene, 97%(31968-33-9)
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