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Home> Encyclopedia > Hot Product Listed 2   > 2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-
12111-24-9 structure

2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-

CAS No.:12111-24-9
EINECS(EC#): 288-647-7
Molecular Weight:500.37795
Molecular Formula:C14H12O4 (isomer)
Names and Identifiers
Synonyms

1-amino-4-(4-methylbenzenesulfonamido)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid 1-amino-4-(4-methylbenzenesulfonamido)-9,10-dioxoanthracene-2-sulfonic acid 1-amino-4-[(4-methylbenzene)sulfonamido]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid 1-amino-4-{[(4-methylphenyl)sulfonyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid 1-amino-4-{[(4-methylphenyl)sulfonyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid 1-amino-4-p-toluenesulfonamido- 2-anthraquinone sulfonic acid 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-2-anthracenesulfonic acid 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulphonamidoanthracene-2-sulphonic acid 2-anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(((4-methylphenyl)sulfonyl)amino)-9,10-dioxo- 2-anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo- 2-anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulfonamido- 2-Anthracenesulfonicacid, 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulfonamido- (8CI) AC1L2722 AC1Q2LMX AC1Q6U54 AKOS005443992 CHEMDIV1_000234 CTK0H5935 DTXSID9059593 einecs 204-925-2 HMS587K14 IIZQAPDECJYKDK-UHFFFAOYSA-N MOLPORT-001-822-992 PL022069 SCHEMBL9174847 STK367373 ZINC3991731

Inchi
InChI=1/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-2
Canonical Smiles
C(C[NH+](CC(=O)[O-])CC(=O)[O-])[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2]
Properties
Density
0.999
Vapour
9.53E-23mmHg at 25°C
Flash Point
318.4°C
Safety and Handling
Safety Statements
Moderately toxic by intravenous and intraperitoneal routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of Na2O and NOx. See also CALCIUM COMPOUNDS.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:500.37795g/mol
  • Molecular Formula:C14H12O4
  • Exact Mass:500.054594
  • Monoisotopic Mass:500.054594
  • Complexity:533
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:214
  • Heavy Atom Count:31
  • 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:5
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