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

PubChem CID
21536785
Structure
Benzenediazonium, 4-[(2-hydroxyethyl)methylamino]-, (T-4)-tetrachlorozincate(2-) (2:1)_small.png
Benzenediazonium, 4-[(2-hydroxyethyl)methylamino]-, (T-4)-tetrachlorozincate(2-) (2:1)_3D_Structure.png
Molecular Formula
Synonyms
  • 33678-73-8
  • Benzenediazonium, 4-[(2-hydroxyethyl)methylamino]-, (T-4)-tetrachlorozincate(2-) (2:1)
  • 4-[2-hydroxyethyl(methyl)amino]benzenediazonium;tetrachlorozinc(2-)
  • P-DIAZOMETHYLHYDROXYETHYLANILINE ZINC CHLORIDE
  • SCHEMBL11871094
Molecular Weight
563.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2007-12-05
  • Modify:
    2025-01-25

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Benzenediazonium, 4-[(2-hydroxyethyl)methylamino]-, (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

4-[2-hydroxyethyl(methyl)amino]benzenediazonium;tetrachlorozinc(2-)
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/2C9H12N3O.4ClH.Zn/c2*1-12(6-7-13)9-4-2-8(11-10)3-5-9;;;;;/h2*2-5,13H,6-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

LFVPHTWIABNBBX-UHFFFAOYSA-J
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

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

2.2 Molecular Formula

C18H24Cl4N6O2Zn
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

33678-73-8

2.3.2 European Community (EC) Number

2.3.3 Wikidata

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
563.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
561.997676 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
560.000627 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
103 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
31
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
209
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

5 Chemical Vendors

6 Use and Manufacturing

6.1 General Manufacturing Information

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

7 Classification

7.1 NORMAN Suspect List Exchange Classification

7.2 EPA TSCA and CDR Classification

7.3 EPA Substance Registry Services Tree

8 Information Sources

  1. EPA Chemicals under the TSCA
    Benzenediazonium, 4-[(2-hydroxyethyl)methylamino]-, (T-4)-tetrachlorozincate(2-) (2:1)
    https://www.epa.gov/chemicals-under-tsca
    EPA TSCA Classification
    https://www.epa.gov/tsca-inventory
  2. 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-[(2-hydroxyethyl)methylamino]benzenediazonium tetrachlorozincate (2:1)
    https://echa.europa.eu/substance-information/-/substanceinfo/100.046.925
  3. Wikidata
    4-[(2-Hydroxyethyl)(methyl)amino]benzene-1-diazonium zinc chloride (2/1/4)
    https://www.wikidata.org/wiki/Q82934819
  4. PubChem
  5. NORMAN Suspect List Exchange
    LICENSE
    Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0
    https://creativecommons.org/licenses/by/4.0/
    NORMAN Suspect List Exchange Classification
    https://www.norman-network.com/nds/SLE/
  6. EPA Substance Registry Services
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