Direct Black 38 - analytical standard , CAS No.1937-37-7

CAS: 1937-37-7 Cat. No.: D114101 Peso molecular: 781.73 Número EC: 217-710-3

GRADE & PURITY Analytical standard

Synonyms

Azine Deep Black EW | Direct Black EW | Direct Black RX | CI DIRECT BLACK 38 | Direct Black EX | Formic Black MTG | Atlantic Black BD | Mitsui Direct Black GX | Atlantic Black E | ATul Direct Black E | Brasilamina Black GN | Diazine Direct Black E | Direc

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Azine Deep Black EW | Direct Black EW | Direct Black RX | CI DIRECT BLACK 38 | Direct Black EX | Formic Black MTG | Atlantic Black BD | Mitsui Direct Black GX | Atlantic Black E | ATul Direct Black E | Brasilamina Black GN | Diazine Direct Black E | Direc

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]
• IUPAC Name: disodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate
• InChIKey: XRPLBRIHZGVJIC-UHFFFAOYSA-L
• INCHI: 1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
• Isómeros SMILES: C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]
• WGK Alemania: 3
• RTECS: QJ6160000
• Peso molecular: 781.73
• Reaxy-Rn: 8535071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8535071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Azobenzenes 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic sodium salts Organic zwitterions Organooxygen compounds Primary amines Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene sulfonate - Azobenzene - Benzidine - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic sodium salt - Amine - Organic salt - Primary amine - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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

• Punto de fusión (°C): 109-110°C
• Peso molecular: 781.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 781.111 Da
• Monoisotopic Mass: 781.111 Da
• Topological Polar Surface Area: 304.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1460.000
• 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: 3

XLogP3

Referencias

1. Xu Yang, Ligang Lin, Zitian Liu, Jing Yang, Qi Cheng, Wensong Ma, Meina Xu, Fengling Tang, Qiying Wang, Xinyang Li, Aishan He, Chunhong Wang, Xiaolan Zhang.  (2023)  Preparation of solvent-resistant polyimide membranes for efficient separation of dyes and salts via an “internal drive” strategy.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.125843]

2. Ningning Gao, Wenbin Xie, Lijing Xu, Qingping Xin, Junkui Gao, Junjun Shi, Jin Zhong, Wenxiong Shi, Huiguo Wang, Kongyin Zhao, Ligang Lin.  (2023)  Characterization of a chlorine resistant and hydrophilic TiO2/calcium alginate hydrogel filtration membrane used for protein purification maintaining protein structure.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37591433] [10.1016/j.ijbiomac.2023.126367]

3. Jing Yang, Ligang Lin, Fengling Tang, Zixu Zhang, Zitian Liu, Meina Xu, Xu Yang, Qiying Wang, Aishan He, Qi Cheng, Chunhong Wang.  (2023)  A Bioinspired Capillary Force-Induced Driving Strategy for Constructing Ultra-Low-Pressure Separation Membranes.  ADVANCED FUNCTIONAL MATERIALS,  33  (24): (2214661).  [PMID:] [10.1002/adfm.202214661]

4. Zitian Liu, Xuesong Deng, Ligang Lin, Rongrong Qiang, Qiying Wang, Qi Cheng, Jing Yang, Xu Yang, Wensong Ma, Xinyang Li, Meina Xu, Chunhong Wang, Qingping Xin, Kongyin Zhao.  (2022)  A tris(hydroxymethyl)aminomethane-modified polyimide membrane with efficient organic solvent resistant performance and high separation selectivity for dye/salt separation.  DESALINATION,      [PMID:] [10.1016/j.desal.2022.116325]

5. Lijing Xu, Kongyin Zhao, Junping Miao, Zhenhao Yang, Zhiwei Li, Lei Zhao, Hongxian Su, Ligang Lin, Yunxia Hu.  (2022)  High-strength and anti-bacterial BSA/carboxymethyl chitosan/silver nanoparticles/calcium alginate composite hydrogel membrane for efficient dye/salt separation.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:35985394] [10.1016/j.ijbiomac.2022.08.096]

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9. Yuefei Song, Yueke Sun, Nan Zhang, Chen Li, Mengxiang Hou, Kexin Chen, Tiemei Li.  (2021)  Custom-tailoring loose nanocomposite membrane incorporated bipiperidine/graphene quantum dots for high-efficient dye/salt fractionation in hairwork dyeing effluent.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2021.118870]

10. Yue Zhang, Kongyin Zhao, Zhijian Zhang, Huike Xie, Ziyi Li, Ze Lin, Chen Mo, Wendong Yang, Xiaolei Wang, Junfu Wei.  (2020)  Polypropylene non-woven supported calcium alginate hydrogel filtration membrane for efficient separation of dye/salt at low salt concentration.  DESALINATION,      [PMID:] [10.1016/j.desal.2020.114845]

11. Jiao Meng, Yan Xie, Yi-Hang Gu, Xi Yan, Yan Chen, Xiao-Jing Guo, Wan-Zhong Lang.  (2020)  PVDF-CaAlg nanofiltration membranes with dual thin-film-composite (TFC) structure and high permeation flux for dye removal.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2020.117739]

12. Yi-Yi Su, Xi Yan, Yan Chen, Xiao-Jing Guo, Xing-Fan Chen, Wan-Zhong Lang.  (2020)  Facile fabrication of COF-LZU1/PES composite membrane via interfacial polymerization on microfiltration substrate for dye/salt separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2020.118706]

13. Fengling Tang, Jing Yang, Ligang Lin, Zitian Liu, Qiying Wang, Wensong Ma, Huiyang Shang, Hao Wu, Aishan He.  (2024)  A capillary effect-inspired sponge-structured carboxymethyl cellulose aerogel layer-modified membrane for efficient separation of dye/salt under ultra-low-pressure.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39532160] [10.1016/j.ijbiomac.2024.137516]

14. Wensong Ma, Xu Yang, Ligang Lin, Hongchao Li, Huiyang Shang, Hao Wu, Mengfan Hou, Zining Guo, Zitian Liu, Jing Yang, Bowen Li.  (2025)  Highly permeable anti-pollution separation membranes inspired by soil purification functions for efficient separation of dye/salt.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.123937]

15. Haike Li, Zhiyun Kong, Huan Zhang, Xiaolei Wang, Xin Wei, Ruichao Yang, Xueyi Zhang.  (2025)  HKUST-1 bridged calcium alginate gel nanofiltration membrane for separating drugs from organic solvents.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132198]

16. Yaqi Zhang, Shiwei Tian, Qiankun Sha, Kangli Ding, Xuhuan Yan, Xingxiang Zhang, Na Han.  (2024)  MXene/COFs membrane with sandwich structure for rapid salt/dye separation by layer-by-layer electrophoretic deposition.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122857]

17. Jing Yang, Zixu Zhang, Ligang Lin, Fengling Tang, Meina Xu, Zitian Liu, Xu Yang, Qiying Wang, Wensong Ma, Qi Cheng, Aishan He.  (2023)  Engineering a separation membrane containing a gel layer with backbone support effect and bionic-inspired capillary effect for the efficient separation of dyes/salts.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.147708]

18. Shengchao Chen, Dudu Yang, Longbo Xia, Mei-Ling Liu, Kecheng Guan, Dong Zou, Hideto Matsuyama.  (2025)  Green dissolution-phase separation strategy for robust PVDF/PS membranes with improved membrane distillation performance.  DESALINATION,      [PMID:] [10.1016/j.desal.2025.119613]

19. Jiulong Yin, Lei Qi, Na Li, Meng Li, Chao Jiang, Yujian Yao, Xuan Zhang.  (2025)  Brominated monomer-enabled polyester tight ultrafiltration membranes for efficient dye/salt separation and anti-fouling performance.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.136009]