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Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1)

PubChem CID
84622
Structure
Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1)_small.png
Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1)_3D_Structure.png
Molecular Formula
Synonyms
  • Diazo 665P
  • 14751-97-4
  • EINECS 238-810-3
  • NSC 62106
  • Benzenediazonium, 4-(ethyl(2-hydroxyethyl)amino)-, (T-4)-tetrachlorozincate(2-) (2:1)
Molecular Weight
591.7 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
  • Create:
    2005-08-08
  • Modify:
    2025-01-25

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1).png

1.2 3D Conformer

3D Conformer of Parent

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;tetrachloride
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

2.1.2 InChI

InChI=1S/2C10H14N3O.4ClH.Zn/c2*1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;;;;/h2*3-6,14H,2,7-8H2,1H3;4*1H;/q2*+1;;;;;+2/p-4
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.3 InChIKey

MQRGMLDXNFBJTF-UHFFFAOYSA-J
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.4 SMILES

CCN(CCO)C1=CC=C(C=C1)[N+]#N.CCN(CCO)C1=CC=C(C=C1)[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C20H28Cl4N6O2Zn
Computed by PubChem 2.2 (PubChem release 2024.11.20)

2.3 Other Identifiers

2.3.1 CAS

14751-97-4

2.3.2 Deprecated CAS

7248-22-8

2.3.3 European Community (EC) Number

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
591.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
590.028977 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
588.031927 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
103 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
33
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
203
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
7
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

4 Spectral Information

4.1 1D NMR Spectra

4.1.1 1H NMR Spectra

Instrument Name
Varian CFT-20
Copyright
Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail
Thumbnail

6 Chemical Vendors

7 Use and Manufacturing

7.1 General Manufacturing Information

EPA TSCA Commercial Activity Status
Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1): INACTIVE

8 Safety and Hazards

8.1 Regulatory Information

The Australian Inventory of Industrial Chemicals
Chemical: Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1)

8.2 Other Safety Information

Chemical Assessment
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

9 Patents

9.1 Depositor-Supplied Patent Identifiers

9.2 Chemical Co-Occurrences in Patents

10 Classification

10.1 ChemIDplus

10.2 EPA TSCA and CDR Classification

10.3 EPA Substance Registry Services Tree

10.4 MolGenie Organic Chemistry Ontology

11 Information Sources

  1. Australian Industrial Chemicals Introduction Scheme (AICIS)
    Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1)
    https://services.industrialchemicals.gov.au/search-assessments/
    Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1)
    https://services.industrialchemicals.gov.au/search-inventory/
  2. ChemIDplus
    Benzenediazonium, 4-(ethyl(2-hydroxyethyl)amino)-, (T-4)-tetrachlorozincate(2-) (2:1)
    https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0014751974
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  3. EPA Chemicals under the TSCA
    Benzenediazonium, 4-[ethyl(2-hydroxyethyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1)
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  4. European Chemicals Agency (ECHA)
    LICENSE
    Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
    https://echa.europa.eu/web/guest/legal-notice
    4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrachlorozincate (2:1)
    https://echa.europa.eu/substance-information/-/substanceinfo/100.035.267
  5. SpectraBase
    p-[ethyl(2-hydroxyethyl)amino]benzenediazonium chloride, compound with zinc chloride (2:1)
    https://spectrabase.com/spectrum/DVXme7ghuvw
  6. PubChem
  7. EPA Substance Registry Services
  8. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
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