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| CAS No.: | 36157-41-2 |
|---|---|
| Name: | 2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID |
| Article Data: | 7 |
| Molecular Structure: | |
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|
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| Formula: | C5H2Cl2O2S |
| Molecular Weight: | 197.042 |
| Synonyms: | NSC 14775; |
| Density: | 1.708 g/cm3 |
| Melting Point: | 147-151 °C(lit.) |
| Boiling Point: | 296.6 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 65.54000 |
| LogP: | 2.75310 |
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2,5-diclorothiophene
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With palladium diacetate; sodium persulfate In acetic acid at 70 - 80℃; for 7h; | 1.6% |
- 61200-60-0
2,5-dichlorothiophene-4-carboxaldehyde
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With silver(l) oxide |
- 36157-42-3
2-chlorothiophene-4-carboxylic acid
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With chlorine; acetic acid |
- 53935-71-0
2-chlorothiophene-3-carboxylic acid
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With chlorine; acetic acid |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium hypochlorite | |
| With sodium hypochlorite In water at 55℃; |
- 88-13-1
3-Thiophene carboxylic acid
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With chlorine; acetic acid | |
| Multi-step reaction with 2 steps 1: acetic acid; chlorine 2: acetic acid; chlorine View Scheme |
- 5751-80-4
thiophene-3-carboxylic acid ethyl ester
- 130562-95-7
ethyl 2,5-dichlorothiophene-3-carboxylate
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sulfuryl dichloride In tetrahydrofuran; ethanol; acetonitrile |
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
- 57248-14-3
2,5-dichlorothiophene-3-carbonyl chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2.5h; | 100% |
| With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2.5h; | 100% |
| With thionyl chloride In chloroform for 2h; Heating; | |
| With thionyl chloride In benzene for 6h; Reflux; | |
| With thionyl chloride at 60℃; for 1h; |
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
- 106-47-8
4-chloro-aniline
| Conditions | Yield |
|---|---|
| Stage #1: 2,5-dichlorothiophene-3-carboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.0333333h; Stage #2: 4-chloro-aniline In N,N-dimethyl-formamide at 20℃; | 95% |
- 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid
- 371-40-4
4-fluoroaniline
| Conditions | Yield |
|---|---|
| Stage #1: 2,5-dichlorothiophene-3-carboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.0333333h; Stage #2: 4-fluoroaniline In N,N-dimethyl-formamide at 20℃; | 91% |
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Specification
The 3-Thiophenecarboxylicacid, 2,5-dichloro-, with the CAS registry number 36157-41-2, has the systematic name and IUPAC name of 2,5-dichlorothiophene-3-carboxylic acid. It belongs to the following product categories: Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; ThiophenesBuilding Blocks. And the molecular formula of the chemical is C5H2Cl2O2S.
The characteristics of 3-Thiophenecarboxylicacid, 2,5-dichloro- are as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 41.35 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 16.39×10-24cm3; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.708 g/cm3; (19)Flash Point: 133.2 °C; (20)Enthalpy of Vaporization: 56.64 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000641 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful if swallowed, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1sc(Cl)c(C(=O)O)c1
(2)InChI: InChI=1/C5H2Cl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)
(3)InChIKey: FBUUZRITKBLZJX-UHFFFAOYAX