4-Sulfophthalic acid

HCID 6962CAS 89-08-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(S(=O)(=O)O)cc1C(=O)O
InChIKey
WNKQDGLSQUASME-UHFFFAOYSA-N
Molecular formula
C8H6O7S
Average molar mass
246.2 g/mol
Monoisotopic mass
245.9834237

Names & identifiers

Preferred name
4-Sulfophthalic acid
IUPAC
4-sulfophthalic acid
English name
4-Sulfophthalic acid
Molecular formula
C8H6O7S
Molecular weight
246.19

Names & synonyms

4-SULFOPHTHALIC ACID89-08-71,2-Benzenedicarboxylic acid, 4-sulfo-Phthalic acid, 4-sulfo-DTXSID6026535HSDB 5264UNII-T1SM5DOM66EINECS 201-881-6T1SM5DOM66NSC 100615NSC-100615DTXCID506535
Show more names
ca50%inwater4-sulfo-phthalicaci5-SULFO PHTHALIC ACID4-Sulfophthalic Acid 4-Sulfophthalic acid, pract.4-sulfophthalic acid solution4-sulfo-2-benzenedicarboxylicacid4-Sulfophthalic acid, 50% aq. soln.
Phthalic acid, 4sulfoRefChem:100490Phthalic acid, 4-sulfo-(8CI)1,2Benzenedicarboxylic acid, 4sulfo201-881-6WNKQDGLSQUASME-UHFFFAOYSA-N4-Sulphophthalic acid4-sulfobenzene-1,2-dicarboxylic acid

Database identifiers

CAS
89-08-7
PubChem CID
6962
DTXSID
DTXSID6026535
ChEMBL
CHEMBL3182294
UNII
T1SM5DOM66
EC Number
201-881-6
Nikkaji
J168.772G

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
137 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
16

Experimental & physicochemical properties

Physical Description · 2 items

Liquid

Light orange liquid (50% aqueous solution); [MSDSonline]

Collision Cross Section145.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6026535]

Physicochemical properties

Boiling point
92 °C · 92 °C
Density
1.292 g/mL · 1.292 g/mL at 25 °C
refractive index
20 · n20/D 1.447
form
Liquid
pka
-1.4 · -1.40±0.50(Predicted)
color
Clear slightly brown

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 97.3% (2112 of 2170) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 2112 of 2170 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2170 reports by companies from 6 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2112 of 2170 reports by companies.；There are 5 notifications provided by 58 of 2170 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: 1,2-Benzenedicarboxylic acid, 4-sulfo-

1,2-Benzenedicarboxylic acid, 4-sulfo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 4-sulfo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1,2-Benzenedicarboxylic acid, 4-sulfo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryEmergency treatment: see Phthalic acid. [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesNot Classified

Toxicology

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatory information

Regulatory Information · 3 items

Chemical: 1,2-Benzenedicarboxylic acid, 4-sulfo-

1,2-Benzenedicarboxylic acid, 4-sulfo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 4-sulfo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1,2-Benzenedicarboxylic acid, 4-sulfo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29173995
risk_code
34
Signal word
Danger

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Used to remove hexavalent chromium from wool dyeing effluents; [HSDB]

Sewer and Wastewater Treatment [Category: Industry]

TO REMOVE CR+6 FROM WOOL DYEING EFFLUENTS.

U.S. Production2023: 50,000 - <250,000 lb；2022: 250,000 - <550,000 lb；2021: 250,000 - <550,000 lb；2020: 250,000 - <550,000 lb
Consumer UsesSurface modifier
Industry UsesCorrosion inhibitor；Plating agent；Other
General Manufacturing Information · 2 items

Fabricated Metal Product Manufacturing；All Other Basic Organic Chemical Manufacturing

1,2-Benzenedicarboxylic acid, 4-sulfo-: ACTIVE

Applications

Uses4-Sulfophthalic acid is used a reagent for the reaction with ethylhexanol(E918755) in the preparation of a plasticizing dopant for poly(aniline).

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

Related reactions

7 records
New reaction record

Linked notes

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