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46496-80-4

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46496-80-4 Structure

46496-80-4 Structure
IdentificationBack Directory
[Name]

2-(2-Thienylcarbonyl)benzoic acid
[CAS]

46496-80-4
[Synonyms]

2-(2-THIENYLCARBONYL)BENZOIC ACID
Benzoic acid, 2-(2-thienylcarbonyl)-
2-(2-Thienylcarbonyl)benzoic acid 97%
2-(THIOPHENE-2-CARBONYL)BENZOIC ACID 9&
JRH-05406, 2-(2-Thienoyl)benzoic acid, 97%
2-(2-Thenoyl)benzoic acid, 2-(Thiophene-2-carbonyl)benzoic acid
[Molecular Formula]

C12H8O3S
[MDL Number]

MFCD00101021
[MOL File]

46496-80-4.mol
[Molecular Weight]

232.26
Chemical PropertiesBack Directory
[Melting point ]

143-147 °C(lit.)
[Boiling point ]

456.6±25.0 °C(Predicted)
[density ]

1.369±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

3.29±0.36(Predicted)
[InChI]

1S/C12H8O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15)
[InChIKey]

KPJANWLDEVDGEA-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccccc1C(=O)c2cccs2
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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