Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > SCHEMBL5026957
2736-18-7 structure

SCHEMBL5026957

Iupac Name:sodium;4,6-dichloro-1,3,5-triazin-2-olate
CAS No.:2736-18-7
Molecular Weight:187.943
Molecular Formula:C13H13CLN8OS (isomer)
Names and Identifiers
Synonyms

6-chloro-n-methyl-5-nitrosopyrimidin-4-amine 944062-57-1

Inchi
InChI=1S/C3HCl2N3O.Na/c4-1-6-2(5)8-3(9)7-1;/h(H,6,7,8,9);/q;+1/p-1
InChkey
SYWDUFAVIVYDMX-UHFFFAOYSA-M
Canonical Smiles
C1(=NC(=NC(=N1)Cl)Cl)[O-].[Na+]
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:187.943g/mol
  • Molecular Formula:C13H13CLN8OS
  • Compound Is Canonicalized:True
  • Exact Mass:186.932
  • Monoisotopic Mass:186.932
  • Complexity:97.7
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61.7A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcQBDICAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAABgIAAAAAAAAAAAABEAYIEAAg AAAAJAAAAAkAAIABAAAAAACACAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:86-25-66112885
  • Fax:86-25-66112885
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+49-(201)-177-01
  • Fax:+49-(201)-177-3475
  • Tel:+1-(770)-804-0371
  • Fax:+1-(770)-804-0375
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-27-88660577
  • Fax:86-27-88991911
  • Tel:86-25-66112885
  • Fax:86-25-66112885
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+49-(201)-177-01
  • Fax:+49-(201)-177-3475
  • Tel:+1-(770)-804-0371
  • Fax:+1-(770)-804-0375
 
<