| Identification | More | [Name]
2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID | [CAS]
36157-41-2 | [Synonyms]
2,5-DICHLORO-3-THIOPHENEFORMIC ACID
2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID
AKOS 90171
RARECHEM AL BE 1205
2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID, 98+% | [Molecular Formula]
C5H2Cl2O2S | [MDL Number]
MFCD00082908 | [Molecular Weight]
197.04 | [MOL File]
36157-41-2.mol |
| Questions And Answer | Back Directory | [Preparation]
(1) Add 3-thiophenecarboxylic acid and an organic solvent to the reaction vessel, lower the temperature to 0℃～-30℃, add thioyl chloride dropwise to the reactor, and after the addition is complete, slowly raise the temperature to 0℃～20℃ and react for 1～3 hours; (2) After the reaction is complete, pour the reaction solution into ice water, the reaction solution separates into layers, separates the organic layer, dries the organic layer, filters, and concentrates to obtain crude 2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID; (3) Recrystallize the crude 2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID obtained in step 2 with methyl tert-butyl ether, filter to obtain crystalline solid, and then dry the crystalline solid to obtain pure 2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID. | [Uses]
2,5-Dichloro-3-thiophenic acid is an important intermediate widely used in drug preparation. |
| Chemical Properties | Back Directory | [Melting point ]
147-151 °C(lit.) | [Boiling point ]
296.6±35.0 °C(Predicted) | [density ]
1.708±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C | [form ]
solid | [pka]
3.36±0.30(Predicted) | [Appearance]
Off-white to light brown Solid | [BRN ]
127865 | [InChI]
1S/C5H2Cl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9) | [InChIKey]
FBUUZRITKBLZJX-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cc(Cl)sc1Cl | [CAS DataBase Reference]
36157-41-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
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 . | [WGK Germany ]
3
| [HS Code ]
2934999090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
|
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