Cas no 85392-01-4 (Methyl 4-chloro-2-(chlorosulfonyl)benzoate)

Methyl 4-chloro-2-(chlorosulfonyl)benzoate structure
85392-01-4 structure
Product Name:Methyl 4-chloro-2-(chlorosulfonyl)benzoate
CAS No:85392-01-4
MF:C8H6Cl2O4S
MW:269.101839542389
MDL:MFCD07368143
CID:60871
PubChem ID:3020661
Update Time:2024-10-26

Methyl 4-chloro-2-(chlorosulfonyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-chloro-2-(chlorosulfonyl)benzoate
    • methyl 4-chloro-2-chlorosulfonylbenzoate
    • 4-Chloro-2-(chlorosulfonyl) benzoic acid methyl ester
    • Methyl 4-chloro-2-(chlorosulphonyl)benzoate
    • 4-chloro-2-(chlorosulfonyl)benzoic acid methyl ester
    • PubChem14819
    • AKVPERSFJZUJKD-UHFFFAOYSA-N
    • STL218823
    • SBB068286
    • VF10163
    • CM12556
    • AB31799
    • methyl 2-chlorosulfonyl-4-chlorobenzoa
    • AS-17738
    • UNII-6MN5FSS85W
    • BENZOIC ACID, 4-CHLORO-2-(CHLOROSULPHONYL)-, METHYL ESTER
    • MFCD07368143
    • methyl 2-chlorosulfonyl-4-chlorobenzoate
    • SCHEMBL5452555
    • methyl4-chloro-2-(chlorosulfonyl)benzoate
    • DTXSID60234586
    • DB-038007
    • BENZOIC ACID, 4-CHLORO-2-(CHLOROSULFONYL)-, METHYL ESTER
    • NS00038916
    • EINECS 286-858-9
    • CS-W019221
    • 85392-01-4
    • AKOS000164630
    • EN300-31347
    • 6MN5FSS85W
    • MDL： MFCD07368143
    • Inchi： 1S/C8H6Cl2O4S/c1-14-8(11)6-3-2-5(9)4-7(6)15(10,12)13/h2-4H,1H3
    • InChI Key： AKVPERSFJZUJKD-UHFFFAOYSA-N
    • SMILES： O=C(C1C(S(Cl)(=O)=O)=CC(Cl)=CC=1)OC

Computed Properties

  • Exact Mass: 267.93600
  • Monoisotopic Mass: 267.936
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 335
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.1
  • Topological Polar Surface Area: 68.8

Experimental Properties

  • Density: 1.529
  • Melting Point: 64-67°C
  • Boiling Point: 376°C at 760 mmHg
  • Flash Point: 181.2°C
  • Refractive Index: 1.553
  • PSA: 68.82000
  • LogP: 3.13490

Methyl 4-chloro-2-(chlorosulfonyl)benzoate Security Information

Methyl 4-chloro-2-(chlorosulfonyl)benzoate Customs Data

  • HS CODE：2916399090
  • Customs Data：

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Methyl 4-chloro-2-(chlorosulfonyl)benzoate Pricemore >>

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Methyl 4-chloro-2-(chlorosulfonyl)benzoate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: Methanol ;  4 h, reflux
2.1 Reagents: Phosphorus pentachloride Solvents: Dichloromethane ;  2 h, rt
Reference
Synthesis of methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate
Lin, Runfeng; et al, Wuhan Gongcheng Daxue Xuebao, 2009, 31(12), 5-7

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium carbonate ,  Sodium nitrite Solvents: Water ;  pH 8 - 9, rt → 0 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  < 5 °C
1.3 Reagents: Cuprous chloride ;  0.5 h, 0 - 5 °C
1.4 Reagents: Potassium hydroxide ,  Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Water ;  6 h, reflux
1.5 Reagents: Hydrochloric acid Solvents: Water ;  pH 3 - 6
2.1 Catalysts: p-Toluenesulfonic acid Solvents: Methanol ;  4 h, reflux
3.1 Reagents: Phosphorus pentachloride Solvents: Dichloromethane ;  2 h, rt
Reference
Synthesis of methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate
Lin, Runfeng; et al, Wuhan Gongcheng Daxue Xuebao, 2009, 31(12), 5-7

Production Method 3

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Dichloromethane ;  2 h, rt
Reference
Synthesis of methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate
Lin, Runfeng; et al, Wuhan Gongcheng Daxue Xuebao, 2009, 31(12), 5-7

Production Method 4

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  reflux; 3 h, reflux
2.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Acetic acid ,  Water ;  -5 °C; 30 min, < 5 °C; 1 h, 0 °C
2.2 Reagents: Sulfur dioxide ,  Cuprous chloride Solvents: Acetic acid ;  0 °C; 1 h, -5 - 0 °C; 1 h, 0 °C; 0 °C → rt
2.3 Reagents: Water ;  0 °C
Reference
A new synthesis method of tianeptine intermediates
Yan, Zhaochun, Huagong Shengchan Yu Jishu, 2013, 20(5), 18-19

Methyl 4-chloro-2-(chlorosulfonyl)benzoate Raw materials

Methyl 4-chloro-2-(chlorosulfonyl)benzoate Preparation Products

Methyl 4-chloro-2-(chlorosulfonyl)benzoate Related Literature

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