Structure

3-Nitro-6-aminobenzene sulfonic acid

CAS
30693-53-9
Catalog Number
ACM30693539
Category
Other Products
Molecular Weight
240.1691
Molecular Formula
C6H6N2O5S.Na

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Specification

Synonyms
3-Nitro-6-aminobenzene sulfonic acid;4-Nitroaniline-2-sulfonic acid sodium salt
IUPAC Name
sodium 2-amino-5-nitrobenzenesulfonate
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])N.[Na+]
InChI Key
VTMRGLXTSDVXAE-UHFFFAOYSA-M
Melting Point
150-152ºC
Density
g/cm³
EC Number
250-299-9
Exact Mass
239.98200
H-Bond Acceptor
6
H-Bond Donor
1
Safety Description
26-36/37/39

Downstream Synthesis Route 1

  • 30693-53-9
  • 20628-33-5

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2007/150001, 2007, A1
Location in patent: Page/Page column 55; 113-114

Downstream Synthesis Route 2

  • 30693-53-9
  • 22515-32-8

Reference: [1]Current Patent Assignee: UNIVERSITY OF OXFORD; Oxford University Innovation (in: Oxford University) - US2004/127691, 2004, A1
Location in patent: Page 6
[2]Current Patent Assignee: BASF SE - WO2005/103164, 2005, A1
Location in patent: Page/Page column 9

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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