| Identification | More | [Name]
3-Chlorothiophene-2-carboxylic acid | [CAS]
59337-89-2 | [Synonyms]
3-CHLOROTHIOPHENE-2-CARBOXYLIC ACID
AKOS 93295
BUTTPARK 29\06-43
RARECHEM AL BE 1228
TIMTEC-BB SBB003936
3-Chlorothiophene-2-carboxylic acid 98%
3-Chlorothiophene-2-carboxylicacid98%
3-Chlorothiophene-2-carboxylic acid ,99% | [EINECS(EC#)]
275-581-9 | [Molecular Formula]
C5H3ClO2S | [MDL Number]
MFCD00043888 | [Molecular Weight]
162.59 | [MOL File]
59337-89-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
186-190 °C (lit.) | [Boiling point ]
291.7±20.0 °C(Predicted) | [density ]
1.466 (estimate) | [storage temp. ]
2-8°C | [solubility ]
DMSO (Sparingly), Methanol (Slightly) | [form ]
solid | [pka]
3.09±0.10(Predicted) | [color ]
White to Off-White | [Detection Methods]
HPLC | [BRN ]
121052 | [InChI]
InChI=1S/C5H3ClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8) | [InChIKey]
BXEAAHIHFFIMIE-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)SC=CC=1Cl | [CAS DataBase Reference]
59337-89-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [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 .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29349990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Chlorothiophene-2-carboxylic acid may be used in the synthesis of 3-chloro-N-[(4-chlorophenyl)(methyl)carbamothioyl]thiophene-2-carboxamide. | [Synthesis]
GENERAL STEPS: Methyl 3-chlorothiophene-2-carboxylate (50 g, 0.28 mol) was dissolved in methanol (100 mL), aqueous sodium hydroxide solution (2M, 400 mL) was added slowly, and the reaction temperature was maintained at 0 °C. The reaction mixture was stirred at room temperature for 2 hours. After removal of methanol by distillation under reduced pressure, the aqueous phase was washed with ether and subsequently acidified with 2N hydrochloric acid to pH < 3. The precipitated white solid was collected by filtration and dried under vacuum to give 3-chlorothiophene-2-carboxylic acid (45 g, 98% yield). Mass spectrometry (MS) analysis showed a molecular ion peak (M+H+) of 163. | [References]
[1] Heterocycles, 1985, vol. 23, # 6, p. 1431 - 1435
[2] Patent: WO2012/139425, 2012, A1. Location in patent: Page/Page column 119
[3] Heterocycles, 2007, vol. 71, # 1, p. 87 - 104
[4] Patent: WO2013/28670, 2013, A1. Location in patent: Page/Page column 96
[5] Patent: US9181236, 2015, B2. Location in patent: Page/Page column 107 |
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