Cas no 123333-68-6 (2-sulfobenzoic acid hydrate)
2-Sulfobenzoic acid hydrate is a crystalline organic compound commonly used as an intermediate in chemical synthesis and industrial applications. Its key advantages include high purity and stability in hydrated form, making it suitable for precise reactions. The sulfonic acid group enhances solubility in aqueous solutions, facilitating its use in catalysis and as a precursor for dyes, pharmaceuticals, and specialty chemicals. The hydrate form ensures consistent handling and storage properties. Its reactivity with amines and alcohols allows for versatile functionalization, while its well-defined structure supports reproducibility in research and manufacturing processes. This compound is valued for its reliability in synthetic organic chemistry.
2-sulfobenzoic acid hydrate structure
Product Name:2-sulfobenzoic acid hydrate
CAS No:123333-68-6
MF:C7H8O6S
MW:220.199821472168
MDL:MFCD00149534
CID:91559
PubChem ID:24820382
Update Time:2025-06-07
2-sulfobenzoic acid hydrate Chemical and Physical Properties
Names and Identifiers
-
- 2-sulfobenzoic acid hydrate
- o-Sulfobenzoic Acid n-Hydrate
- 2-SULPHOBENZOIC ACID HYDRATE
- o-Sulfobenzoic Acid Hydrate
- o-Sulphobenzoic Acid
- DS-12168
- 2-sulfobenzoic acid;hydrate
- SCHEMBL818710
- DTXSID50924464
- AKOS025244046
- 2-Sulfobenzoic acid--water (1/1)
- E77233
- 123333-68-6
- 2-Sulfobenzoicacidhydrate
- EN300-108107
- MFCD00149534
- 2-Sulfobenzoic acid trihydrate
- A890795
- FT-0723348
- HVJWSZOEEIYKSS-UHFFFAOYSA-N
-
- MDL： MFCD00149534
- Inchi： 1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2
- InChI Key： HVJWSZOEEIYKSS-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)O)(=O)(=O)O.O
- BRN： 2106852
Computed Properties
- Exact Mass: 220.00400
- Monoisotopic Mass: 220.00415914g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 289
- Covalently-Bonded Unit Count: 2
- 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: nothing
- Topological Polar Surface Area: 101?2
Experimental Properties
- Color/Form: solid
- Density: No data available
- Melting Point: 78-80°C
- Boiling Point: 568.6°C at 760 mmHg
- Flash Point: No data available
- PSA: 109.28000
- LogP: 1.64800
- Sensitiveness: Hygroscopic
- Solubility: Not determined
- Vapor Pressure: No data available
2-sulfobenzoic acid hydrate Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H314,H318
- Warning Statement： P280,P303+P361+P353,P305+P351+P338,P310
- Hazardous Material transportation number：UN 3261 8/PG 2
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： S26; S27; S28; S36/37/39; S45
-
Hazardous Material Identification：
- Packing Group：III
- HazardClass：8
- PackingGroup：Ⅱ
- TSCA：Yes
- Storage Condition：Sealed in dry,Room Temperature(BD78631)
- Risk Phrases：R34
- Packing Group：III
2-sulfobenzoic acid hydrate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
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%
2-sulfobenzoic acid hydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-YM891-5g |
2-sulfobenzoic acid hydrate |
123333-68-6 | 98% | 5g |
￥181.0 | 2022-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | L-YM891-1g |
2-sulfobenzoic acid hydrate |
123333-68-6 | 98% | 1g |
￥79.0 | 2022-06-09 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | S64880-25g |
2-Sulfobenzoic acid hydrate |
123333-68-6 | 25g |
￥438.0 | 2021-09-07 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R019190-25g |
2-sulfobenzoic acid hydrate |
123333-68-6 | 98% | 25g |
￥989 | 2024-05-26 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | B23381-25g |
2-Sulfobenzoic acid hydrate, 98% |
123333-68-6 | 98% | 25g |
￥624.00 | 2023-03-09 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | B23381-100g |
2-Sulfobenzoic acid hydrate, 98% |
123333-68-6 | 98% | 100g |
￥1209.00 | 2023-03-09 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S113609-25g |
2-sulfobenzoic acid hydrate |
123333-68-6 | 98% | 25g |
￥823.90 | 2023-09-01 | |
| eNovation Chemicals LLC | D526799-25g |
2-Sulfobenzoic acid hydrate |
123333-68-6 | 97% | 25g |
$206 | 2024-05-24 | |
| Enamine | EN300-108107-0.05g |
2-sulfobenzoic acid hydrate |
123333-68-6 | 0.05g |
$19.0 | 2023-02-18 | ||
| Enamine | EN300-108107-0.1g |
2-sulfobenzoic acid hydrate |
123333-68-6 | 0.1g |
$19.0 | 2023-02-18 |
2-sulfobenzoic acid hydrate Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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