Sodium Hydroxymethanesulfinate Dihydrate - ≥98% , CAS No.6035-47-8

CAS: 6035-47-8 Cat. No.: R110955 Peso molecular: 154.12 Beilstein Registry Number: 3630814 Número EC: 611-965-8 PubChem CID: 23666330

GRADE & PURITY ≥98%

Synonyms

Methanesulfinic acid, hydroxy-, monosodium salt, dihydrate | sodium formaldehyde sulfoxylate dihydrate | Q27289335 | UNII-SQ4705447D | AKOS022186504 | Metribuzin 200 microg/mL in Methanol | EN300-1697657 | FT-0696356 | Q15274561 | Tox21_110585_1 | Hydroxy

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

Methanesulfinic acid, hydroxy-, monosodium salt, dihydrate | sodium formaldehyde sulfoxylate dihydrate | Q27289335 | UNII-SQ4705447D | AKOS022186504 | Metribuzin 200 microg/mL in Methanol | EN300-1697657 | FT-0696356 | Q15274561 | Tox21_110585_1 | Hydroxy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(O)S(=O)[O-].O.O.[Na+]
• IUPAC Name: sodium;hydroxymethanesulfinate;dihydrate
• InChIKey: UCWBKJOCRGQBNW-UHFFFAOYSA-M
• INCHI: 1S/CH4O3S.Na.2H2O/c2-1-5(3)4;;;/h2H,1H2,(H,3,4);;2*1H2/q;+1;;/p-1
• Isómeros SMILES: C(O)S(=O)[O-].O.O.[Na+]
• WGK Alemania: 1
• RTECS: PB0380000
• CAS alternativo: 149-44-0
• PubChem CID: 23666330
• Peso molecular: 154.12
• Beilstein: 3630814
• Reaxy-Rn: 3630814

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Sulfinic acids and derivatives
      • Subclass Alkanesulfinic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Sulfinic acids and derivatives
• Subclass: Alkanesulfinic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanesulfinic acids
• Alternative Parents: Organosulfur compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfinic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkanesulfinic acids. These are organosulfur compounds containing an aliphatic group attached to a sulfinic acid group (or a derivative thereof), with the general formula RSO2R' (R= alkyl, R'=H).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: solubility :H2O: 50 mg/mL, clear, colorless
• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 64-68℃
• Peso molecular: 154.120 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 153.991 Da
• Monoisotopic Mass: 153.991 Da
• Topological Polar Surface Area: 81.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

Referencias

1. Shiwen Li, Tian Li, Yaoyi Cai, Zekai Yao, Miaolei He.  (2023)  Rapid quantitative analysis of Rongalite adulteration in rice flour using autoencoder and residual-based model associated with portable Raman spectroscopy.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:37725883] [10.1016/j.saa.2023.123382]

2. Chenglu Zhang, Lu Zhang, Yuqing Li, Zhixuan Ren, Lu Li, Yanpeng Zhang, Yizheng Li, Cui Liu.  (2021)  A simple and efficient fluorescent probe for rapidly detecting H2S in GBC - SD cells based on 1,8 - naphthalimide - ebselen.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2021.131777]

3. Chenguang Pan, Jijun Wang, Xingxiang Ji, Libin Liu.  (2019)  Stretchable, compressible, self-healable carbon nanotube mechanically enhanced composite hydrogels with high strain sensitivity.  Journal of Materials Chemistry C,  8  (6): (1933-1942).  [PMID:] [10.1039/C9TC04853G]

4. Shuwei Cai, Shuzhong Wang, Dongxu Wei, Haijun Niu, Wen Wang, Xuduo Bai.  (2018)  Multifunctional polyamides containing pyrrole unit with different triarylamine units owning electrochromic, electrofluorochromic and photoelectron conversion properties.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2018.01.039]

5. Chenguang Pan, Libin Liu, Qiang Chen, Qiang Zhang, Gailan Guo.  (2017)  Tough, Stretchable, Compressive Novel Polymer/Graphene Oxide Nanocomposite Hydrogels with Excellent Self-Healing Performance.  ACS Applied Materials & Interfaces,      [PMID:29019393] [10.1021/acsami.7b12932]

6. Zhuxin Zhou, Lunjun Qu, Tingting Yang, Jinglan Wen, Yi Zhang, Zhenguo Chi, Siwei Liu, Xudong Chen, Jiarui Xu.  (2016)  Nonvolatile electrical switching behavior and mechanism of functional polyimides bearing a pyrrole unit: influence of different side groups.  RSC Advances,  6  (58): (52798-52809).  [PMID:] [10.1039/C6RA11615A]