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| CAS No.: | 37098-75-2 |
|---|---|
| Name: | 5-(Chlorosulphonyl)-2-fluorobenzoic acid |
| Molecular Structure: | |
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| Formula: | C7H4ClFO4S |
| Molecular Weight: | 238.624 |
| Synonyms: | 5-(Chlorosulphonyl)-2-fluorobenzoic acid;2-Fluoro-5-(chlorosulfonyl)benzoic acid;Benzoic acid, 5-(chlorosulfonyl)-2-fluoro-;3-Carboxy-4-fluorobenzenesulphonyl chloride |
| Density: | 1.67 g/cm3 |
| Melting Point: | 111-113℃ |
| Boiling Point: | 404 °C at 760 mmHg |
| Flash Point: | 198.1 °C |
| PSA: | 79.82000 |
| LogP: | 2.53220 |
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o-fluoro-benzoic acid
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid In water | 78.1% |
| With chlorosulfonic acid | 77% |
| With chlorosulfonic acid at 0 - 75℃; | 76% |
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 949485-81-8
5-(chlorosulfonyl)-2-fluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride In N,N-dimethyl-formamide at 0℃; for 1.5h; | 99.99% |
| With thionyl chloride Time; Reflux; | |
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1h; |
- 33966-50-6
SEC-BUTYLAMINE
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 1039841-08-1
5-sec-butylsulfamoyl-2-fluoro-benzoic acid
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; | 96% |
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; | 96% |
- 108-91-8
cyclohexylamine
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 1041559-56-1
5-(N-cyclohexylsulfamoyl)-2-fluorobenzoic acid
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; | 95% |
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; | 95% |
| In ethyl acetate at 20℃; for 0.166667h; | 86% |
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 3863-11-4
3,4-difluoroaniline
- 1616809-39-2
3-((3,4-difluorophenyl)carbamoyl)-4-fluorobenzene-1-sulfonyl chloride
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluoro-5-chlorosulfonylbenzoic acid With thionyl chloride for 1.5h; Reflux; Stage #2: 3,4-difluoroaniline In toluene at 100℃; for 4h; | 92% |
| Stage #1: 2-fluoro-5-chlorosulfonylbenzoic acid With thionyl chloride at 80℃; for 16h; Stage #2: 3,4-difluoroaniline In toluene at 110℃; for 2h; | 2.87 g |
- 1003-03-8
Cyclopentamine
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 716361-43-2
5-(N-cyclopentylsulfamoyl)-2-fluorobenzoic acid
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; | 90% |
| With sodium hydroxide In tetrahydrofuran; water at 0 - 20℃; for 12h; | 40 g |
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 112887-25-9
5-(aminosulfonyl)-2-fluorobenzoic acid
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In tetrahydrofuran at 0℃; for 1.5h; | 78% |
| With ammonium hydroxide In dichloromethane at 0 - 20℃; | 52% |
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 1229627-84-2
2-fluoro-5-sulfinobenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluoro-5-chlorosulfonylbenzoic acid With sodium hydroxide; sodium sulfite In water at 20℃; for 0.75h; Stage #2: With sulfuric acid; water pH=2; | 72% |
| Stage #1: 2-fluoro-5-chlorosulfonylbenzoic acid With sodium sulfite In water at 20℃; Stage #2: With sulfuric acid In water at 0℃; pH=2; | 72% |
| Stage #1: 2-fluoro-5-chlorosulfonylbenzoic acid With sodium sulfite In water at 20℃; for 2h; Stage #2: With sulfuric acid In water at 0℃; pH=2; |
- 79-11-8
chloroacetic acid
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
- 247569-56-8
2-fluoro-5-(methylsulfonyl)benzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium sulfite In water at 120℃; for 17h; | 61% |
- 37098-75-2
2-fluoro-5-chlorosulfonylbenzoic acid
| Conditions | Yield |
|---|---|
| With pyridine In tetrahydrofuran at 20℃; for 19h; | 34% |
| With pyridine In tetrahydrofuran at 20℃; for 19h; | 33% |
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Specification
The 5-(Chlorosulfonyl)-2-fluorobenzoic acid is an organic compound with the formula C7H4ClFO4S. The systematic name of this chemical is 5-(chlorosulfonyl)-2-fluorobenzoic acid. With the CAS registry number 37098-75-2, it is also named as benzoic acid, 5-(chlorosulfonyl)-2-fluoro-.
Physical properties about 5-(Chlorosulfonyl)-2-fluorobenzoic acid are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): -0.68; (3)ACD/LogD (pH 7.4): -0.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 68.82 Å2; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 46.78 cm3; (14)Molar Volume: 142.8 cm3; (15)Polarizability: 18.54×10-24cm3; (16)Surface Tension: 55.5 dyne/cm; (17)Density: 1.67 g/cm3; (18)Flash Point: 198.1 °C; (19)Enthalpy of Vaporization: 69.1 kJ/mol; (20)Boiling Point: 404 °C at 760 mmHg; (21)Vapour Pressure: 2.99E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1F)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: CISMZCVQNVNWJW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
(5)Std. InChIKey: CISMZCVQNVNWJW-UHFFFAOYSA-N