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Home> Hot Product Listed 2   > 2-(Phenylsulfonyl)benzenediazonium
67-03-8 structure

2-(Phenylsulfonyl)benzenediazonium

Iupac Name:2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
CAS No.:67-03-8
EINECS(EC#): 215-598-0
Molecular Weight:337.263
Molecular Formula:C13H15N (isomer)
Names and Identifiers
Synonyms

Diazo Fast Orange LG Fast Orange LG Salt Fast Orange Salt LG

Inchi
InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
InChkey
DPJRMOMPQZCRJU-UHFFFAOYSA-M
Canonical Smiles
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Properties
Melting Point
246-254℃
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Transport
25kgs
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:337.263g/mol
  • Molecular Formula:C13H15N
  • Compound Is Canonicalized:True
  • Exact Mass:336.058
  • Monoisotopic Mass:336.058
  • Complexity:269
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:104A^2
  • Heavy Atom Count:20
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADceBzoABGAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHgQQCAAADAjh3wavsZdMEgik AxZnZACA8KlxCLgBWDQ4RBiAOIJgyUAERAgsQAPISCKgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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