Cas no 88-61-9 (2,4-Xylenesulfonic Acid)

2,4-Xylenesulfonic Acid structure
2,4-Xylenesulfonic Acid structure
Product Name:2,4-Xylenesulfonic Acid
CAS No:88-61-9
MF:C8H10O3S
MW:186.228201389313
MDL:MFCD00007483
CID:34472
PubChem ID:87567320
Update Time:2024-10-26

2,4-Xylenesulfonic Acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dimethylbenzenesulfonic acid
    • Xylenesulfonic acid
    • m-Xylene-4-sulfonic Acid Hydrate
    • M-XYLENE-4-SULFONIC ACID
    • 2,4-Dimethyl-1-benzolsulfonsaeure
    • 2,4-Dimethylbenzenes
    • 2,4-dimethyl-benzenesulfonic acid
    • 2,4-dimethyl-benzenesulfonicaci
    • 2,4-Dimethyl-benzolsulfonsaeure
    • 2,4-XYLENESULPHONICACID
    • methyl p-toluenesulfonic acid
    • methyltosylate
    • m-xylene-4-sulphonic acid
    • m-xylenesulfonicacid
    • 2,4-Dimethylbenzenesulfonic Acid Hydrate
    • 2,4-Xylenesulfonic acid
    • m-Xylenesulfonic acid
    • Benzenesulfonic acid, 2,4-dimethyl-
    • NMK3P488V0
    • CHZLVSBMXZSPNN-UHFFFAOYSA-N
    • 2,4-Dimethylbenzenesulfonic acid monohydrate
    • FCH831832
    • 2,4-dimethylbenzene-1-su
    • 2,4-dimethylbenzene-1-sulfonic acid
    • AM101463
    • FT-0655976
    • 88-61-9
    • W-100398
    • InChI=1/C8H10O3S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11
    • ETHYL2-[(1-FORMYL-2-NAPHTHYL)OXY]ACETATE
    • AKOS006229887
    • UNII-NMK3P488V0
    • SCHEMBL26645
    • MFCD00007483
    • 4-11-00-00500 (Beilstein Handbook Reference)
    • SXA-60
    • D0680
    • F71235
    • EINECS 201-843-9
    • FT-0629042
    • LS-162615
    • CHEMBL3305957
    • DTXSID1047023
    • Q27284956
    • 2,4-DimethylbenzenesulfonicAcid
    • BRN 1949917
    • 2,4-Dimethylbenzenesulfonic acid (ACI)
    • 2,4-Xylenesulfonic acid (7CI, 8CI)
    • SXA 60
    • LS-13429
    • NS00013365
    • 2,4-Xylenesulfonic Acid
    • MDL: MFCD00007483
    • Inchi: 1S/C8H10O3S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
    • InChI Key: CHZLVSBMXZSPNN-UHFFFAOYSA-N
    • SMILES: O=S(C1C(C)=CC(C)=CC=1)(O)=O
    • BRN: 1949917

Computed Properties

  • Exact Mass: 186.03500
  • Monoisotopic Mass: 186.03506535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 240
  • 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
  • XLogP3: 1.4
  • Topological Polar Surface Area: 62.8
  • Surface Charge: 0

Experimental Properties

  • Color/Form: Flake or prismatic crystals, containing two molecules of crystalline water (water)
  • Density: 1.3286 (rough estimate)
  • Melting Point: 58.0 to 64.0 deg-C
  • Boiling Point: 290.72°C (rough estimate)
  • Refractive Index: 1.5250 (estimate)
  • Water Partition Coefficient: almost transparency
  • PSA: 62.75000
  • LogP: 2.63090
  • Solubility: Not determined

2,4-Xylenesulfonic Acid Security Information

2,4-Xylenesulfonic Acid Customs Data

  • HS CODE:2904100000
  • Customs Data:

    China Customs Code:

    2904100000

    Overview:

    2904100000 Derivatives containing only sulfo groups and their salts and ethyl esters.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2904100000 derivatives containing only sulpho groups, their salts and ethyl esters.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

2,4-Xylenesulfonic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M158774-100g
2,4-Xylenesulfonic Acid
88-61-9 95%
100g
¥132.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M158774-25G
2,4-Xylenesulfonic Acid
88-61-9 95%
25g
¥56.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M158774-500G
2,4-Xylenesulfonic Acid
88-61-9 95%
500g
¥499.90 2023-09-02
SHANG HAI XIAN DING Biotechnology Co., Ltd.
A-AL363-5g
2,4-Xylenesulfonic Acid
88-61-9 98%
5g
46.0CNY 2021-08-06
SHANG HAI XIAN DING Biotechnology Co., Ltd.
A-AL363-25g
2,4-Xylenesulfonic Acid
88-61-9 98%
25g
90.0CNY 2021-08-06
TRC
X749510-1g
2,4-Xylenesulfonic Acid
88-61-9
1g
$ 69.00 2023-09-05
TRC
X749510-5g
2,4-Xylenesulfonic Acid
88-61-9
5g
$ 65.00 2022-03-29
TRC
X749510-10g
2,4-Xylenesulfonic Acid
88-61-9
10g
$ 80.00 2022-03-29
abcr
AB135421-100 g
m-Xylene-4-sulfonic acid; .
88-61-9
100 g
€77.40 2023-07-20
abcr
AB135421-500 g
m-Xylene-4-sulfonic acid; .
88-61-9
500 g
€107.20 2023-07-20

2,4-Xylenesulfonic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Trifluoroacetic acid ,  Water ;  24 h, rt → 100 °C
Reference
Divergent C-H Functionalizations Directed by Sulfonamide Pharmacophores: Late-Stage Diversification as a Tool for Drug Discovery
Dai, Hui-Xiong; Stepan, Antonia F.; Plummer, Mark S.; Zhang, Yang-Hui; Yu, Jin-Quan, Journal of the American Chemical Society, 2011, 133(18), 7222-7228

Production Method 2

Reaction Conditions
1.1 Reagents: 1H-Imidazolium, 1,3-disulfo-, chloride (1:1) Solvents: Water ;  3 min, 50 °C
Reference
Regioselective Sulfonation of Aromatic Compounds over 1,3-Disulfonic Acid Imidazolium Chloride under Aqueous Media
Moosavi-Zare, Ahmad Reza; Zolfigol, Mohammad Ali; Noroozizadeh, Ehsan, Synlett, 2016, 27(11), 1682-1684

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid
Reference
Sulfosilylation of aromatic hydrocarbons with trimethylsilyl chlorosulfonate
Hofmann, Karin; Simchen, Gerhard, Liebigs Annalen der Chemie, 1982, (2), 282-97

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium bisulfite Catalysts: Dipyridinium dichromate ;  3.0 min, 2 bar, 100 °C
Reference
Cornforth and Corey-Suggs reagents as efficient catalysts for sulfonation of aromatic and heteroaromatic compounds using NaHSO3 under solvent free and microwave conditions
Fatima, Touheeth; Duguta, Govardhan; Purugula, Venkanna; Yelike, Hemanth Sriram; Kamatala, Chinna Rajanna, Phosphorus, 2020, 195(12), 1001-1006

Production Method 5

Reaction Conditions
1.1 Reagents: Sulfuric acid (silica supported) ;  30 min, 80 °C
Reference
A novel method for sulfonation of aromatic rings with silica sulfuric acid
Hajipour, Abdol R.; Mirjalili, Bi Bi F.; Zarei, Amin; Khazdooz, Leila; Ruoho, A. E., Tetrahedron Letters, 2004, 45(35), 6607-6609

Production Method 6

Reaction Conditions
1.1 Reagents: Sulfuric acid ;  45 min, 25 - 39 °C
Reference
Ultrasound assisted regioselective sulfonation of aromatic compounds with sulfuric acid
Qureshi, Ziyauddin S.; Deshmukh, Krishna M.; Jagtap, Sachin R.; Nandurkar, Nitin S.; Bhanage, Bhalchandra M., Ultrasonics Sonochemistry, 2008, 16(3), 308-311

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Sodium borohydride
Reference
Studies of reactions of amines with sulfur trioxide. VI. Thermal reactions of anilinium, dimethylanilinium, and trimethylanilinium salts of butylamidosulfuric acid
Kanetani, Fujio; Yamaguchi, Hachiro, Bulletin of the Chemical Society of Japan, 1981, 54(10), 3048-58

Production Method 8

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethanol
Reference
Reactions of triarylbismuth bis(arenesulfonates)
Sharutin, V. V.; Sharutina, O. K.; Egorova, I. V.; Ettenko, E. N., Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii), 2001, 71(8), 1236-1237

Production Method 9

Reaction Conditions
1.1 Reagents: Phosphorus pentoxide ,  Sodium bisulfate ;  3 h, rt
Reference
Mechanochemical sulfonation of aromatic compounds using NaHSO4·H2O/P2O5
Zuo, Lu-Lu; Qin, Shuai; Zhang, Pu ; Qin, Yu-Jun; Guo, Zhi-Xin, Journal of Chemical Research, 2021, 45(11-12), 942-949

2,4-Xylenesulfonic Acid Raw materials

2,4-Xylenesulfonic Acid Preparation Products

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