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Basic Information
CAS No.: 6837-93-0
Name: 4-amino-5-(tosyloxy)naphthalene-2,7-disulfonic acid
Molecular Structure:
Molecular Structure of 6837-93-0 (4-amino-5-(tosyloxy)naphthalene-2,7-disulfonic acid)
Formula: C17H15 N O9 S3
Molecular Weight: 473.51
Synonyms: 2,7-Naphthalenedisulfonicacid, 4-amino-5-hydroxy-, p-toluenesulfonate (ester) (8CI);4-Amino-5-tosyloxynapthalene-2,7-disulfonic acid; NSC 16168
Density: 1.683g/cm3
Safety: Mildly toxic by ingestion. A severe eye irritant. See also ESTERS and SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 203.27000
LogP: 5.81510
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Chemistry

Product Name: 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid p-toluenesulfonate (ester) (CAS NO.6837-93-0)


Molecular Formula: C17H15NO9S3
Molecular Weight: 473.4973g/mol
Mol File: 6837-93-0.mol
Density: 1.683 g/cm3
Surface Tension: 78.8 dyne/cm
XLogP3-AA: 1.4
H-Bond Donor: 3
H-Bond Acceptor: 10
Structure Descriptors of 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid p-toluenesulfonate (ester) (CAS NO.6837-93-0):
  IUPAC Name: 4-Amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid 
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O
  InChI: InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)30(25,26)27-16-9-14(29(22,23)24)7-11-6-13(28(19,20)21)8-15(18)17(11)16/h2-9H,18H2,1H3,(H,19,20,21)(H,22,23,24) 
  InChIKey: ZIQWUYNDHGXLIN-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

eye-rbt 100 mg/24H SEV

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,194.
2.    

orl-rat LD50:11,500 mg/kg

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,194.

Safety Profile

Mildly toxic by ingestion. A severe eye irritant. See also ESTERS and SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.

Specification

 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid p-toluenesulfonate (ester) , its CAS NO. is 6837-93-0, the synonyms are 1-Amino-3,6-disulfo-8-naftylester kyselina p-toluensulfonove ; 2-14-00-00503 (Beilstein Handbook Reference) ; BRN 3124026 ; Kyselina 8-p-toluensulfonyloxy-1-naftylamin-3,6-disulfonova ; Kyselina o-tosyl-h ; NSC 16168 ; 2,7-Naphthalenedisulfonic acid, 4-amino-5-(((4-methylphenyl)sulfonyl)oxy)- (9CI) ; 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, p-toluenesulfonate (ester)  .