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Home> Hot Product Listed C   > Chromate(1-),bis[3-[[4,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenz...
6020-87-7 structure

Chromate(1-),bis[3-[[4,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzenesulfonamidato(2-)]-,sodium (9CI)

Iupac Name:2-[carbamimidoyl(methyl)amino]acetic acid;hydrate
CAS No.:6020-87-7
EINECS(EC#): 287-571-1
Molecular Weight:149.15
Molecular Formula:C10H14N2O3 (isomer)
Names and Identifiers
Synonyms

Benzenesulfonamide,3-[[4,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-,chromium complex Einecs 281-959-4 Sodium bis(3-((4,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxybenzene-1-sulphonamidato(2-))chromate(1-) sodium bis[3-[[4,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzene-1-sulphonamidato(2-)]chromate(1-)

Inchi
InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
InChkey
MEJYXFHCRXAUIL-UHFFFAOYSA-N
Canonical Smiles
CN(CC(=O)O)C(=N)N.O
Properties
Melting Point
292℃
Boiling Point
243.4°Cat760mmHg
Flash Point
22.1°C
HS Code
29252000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26
Reach Info
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:149.15g/mol
  • Molecular Formula:C10H14N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:149.08
  • Monoisotopic Mass:149.08
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:91.4A^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: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQDCANAAgAo AACQKAAAAACAAAABAACIAACCAAAACCAAAAAAAAIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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