Chromotropic acid disodium salt dihydrate - ACS , CAS No.5808-22-0

CAS: 5808-22-0 Cat. No.: C100360 Peso molecular: 400.29 Beilstein Registry Number: 11307 Número EC: 611-619-6

GRADE & PURITY ACS

Synonyms

5808-22-0|Chromotropic acid disodium salt dihydrate|Disodium chromotropate dihydrate|3-Fluoro-4,6-dihydro-thieno[3,4-b]thiophene-2-carboxylic acid methyl ester|UNII-Z441AY339V|Disodium 4,5-dihydroxynaphthalene-2,7-disulfonate Dihydrate|Z441AY339V|Chromotr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5808-22-0 | Chromotropic acid disodium salt dihydrate | Disodium chromotropate dihydrate | 3-Fluoro-4, 6-dihydro-thieno[3, 4-b]thiophene-2-carboxylic acid methyl ester | UNII-Z441AY339V | Disodium 4, 5-dihydroxynaphthalene-2, 7-disulfonate Dihydrate | Z441AY339V | Chromotr

Especificaciones y pureza

ACS

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

ACS

Nombres e identificadores

• Pubchem Sid: 488192202
• Sonrisas canónicas: C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].O.O.[Na+].[Na+]
• IUPAC Name: disodium;4,5-dihydroxynaphthalene-2,7-disulfonate;dihydrate
• InChIKey: QUEAKWJKJBFNEG-UHFFFAOYSA-L
• INCHI: 1S/C10H8O8S2.2Na.2H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;;2*1H2/q;2*+1;;/p-2
• Isómeros SMILES: C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].O.O.[Na+].[Na+]
• WGK Alemania: 3
• Peso molecular: 400.29
• Beilstein: 11307
• Reaxy-Rn: 16479158
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16479158&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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: Soluble in water (125 g/l 20 °C)
• Sensibilidad: Light Sensitive
• Punto de fusión (°C): 300°C
• Peso molecular: 400.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 399.951 Da
• Monoisotopic Mass: 399.951 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 480.000
• 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: 5

XLogP3

Referencias

1. Jing-Long Han, Xue Xia, Muhammad Rizwan Haider, Wen-Li Jiang, Yu Tao, Mei-Jun Liu, Hong-cheng Wang, Yang-Cheng Ding, Ya-Nan Hou, Hao-Yi Cheng, Ai-Jie Wang.  (2018)  Functional graphene oxide membrane preparation for organics/inorganic salts mixture separation aiming at advanced treatment of refractory wastewater.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:29438935] [10.1016/j.scitotenv.2018.02.043]

2. Yechen An, Jinglong Han, Xiaoxu Gao, Ruijie Yang, Wenhai Zhang, Ruiyun Ren, Luwei Li, Wenli Jiang, Aijie Wang, Nanqi Ren.  (2025)  Few-layer MoS2 co-assembly with GO to optimize defect channels and stability of GO membranes for high-performance organic-inorganic separation.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40037191] [10.1016/j.jhazmat.2025.137770]

3. Yechen An, Jinglong Han, Xiaoxu Gao, Ruiyun Ren, Miaomiao Tan, Wenhai Zhang, Xianshi Wang, Haoran Xu, Ruifeng Yan, Wenli Jiang, Yu Tao, Aijie Wang.  (2025)  Disc-tube graphene oxide membranes for efficient and scalable organic removal from saline wastewater.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124840]