Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)

CAS Number: 17691-19-9

Molecular Formula: C6H3ClNNaO5S

121-18-6 (Free Acid) / 17691-19-9 (Sodium Salt form)

About Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1)

ONCBPSA (CAS 115-33-3) serves as a critical high purity fine chemicals building block in the production of advanced polycarbonates and specialized epoxy resins, where it imparts superior thermal stability and flame retardant properties essential for US aerospace and high-performance electronics sectors. This bisphenol ...

Synonyms

C6H3ClNNaO5S
C6H4ClNO5S.Na
AC1Q1VUA
AC1L3D8U
Jsp003640

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Benzenesulfonic acid, 4-chloro-3-nitro-, sodium salt (1:1) Specifications

CAS Number

17691-19-9

Molecular Formula

C6H3ClNNaO5S

Molecular Weight

259.60 g/mol

IUPAC Name

sodium 4-chloro-3-nitrobenzenesulfonate

Canonical SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.[Na+]

InChI Key

POUGKTDTYSAMAT-UHFFFAOYSA-M

InChI

InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1

UNII Code

4ZNE7E5C39

DSSTox Substance ID

DTXSID5066245

EINECS Number

241-680-0

MDL Number

MFCD00007496

CAS Number

17691-19-9

Molecular Formula

C6H3ClNNaO5S

Molecular Weight

259.60 g/mol

IUPAC Name

sodium 4-chloro-3-nitrobenzenesulfonate

Canonical SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.[Na+]

InChI Key

POUGKTDTYSAMAT-UHFFFAOYSA-M

InChI

InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1

UNII Code

4ZNE7E5C39

DSSTox Substance ID

DTXSID5066245

EINECS Number

241-680-0

MDL Number

MFCD00007496

Molecular Weight

259.60 g/mol

Hydrogen Bond Acceptor Count

Topological Polar Surface Area

111 Å²

Physical appearance

White to Off White

GHS Hazard Statements

H315 (100%): Causes skin irritation H319 (100%): Causes serious eye irritation H335 (100%): May cause respiratory irritation

Hazard Classes and Categories

Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)

Dye Intermediate

A vital industrial chemical used as a precursor in the manufacture of various textile dyestuffs and pigments, particularly for the production of acid and direct dyes

Organic Synthesis Building Block

A functionalized nitro-chloro benzene derivative utilized as a starting material or intermediate for the synthesis of complex organic molecules in pharmaceutical and agrochemical research