5-Sulfoisophthalic acid

Modify Date: 2026-06-30 19:58:50

5-Sulfoisophthalic acid Structure
5-Sulfoisophthalic acid structure
Common Name 5-Sulfoisophthalic acid
CAS Number 22326-31-4 Molecular Weight 246.194
Density 1.8±0.1 g/cm3 Boiling Point N/A
Molecular Formula C8H6O7S Melting Point 249-253 °C
MSDS N/A Flash Point N/A

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 5-sulfobenzene-1,3-dicarboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.8±0.1 g/cm3
Melting Point 249-253 °C
Molecular Formula C8H6O7S
Molecular Weight 246.194
Exact Mass 245.983429
PSA 137.35000
LogP 0.71
Index of Refraction 1.643
InChIKey CARJPEPCULYFFP-UHFFFAOYSA-N
SMILES O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ4375000
CHEMICAL NAME :
Benzene-1,3-dicarboxylic acid, 5-sulfo-
CAS REGISTRY NUMBER :
22326-31-4
BEILSTEIN REFERENCE NO. :
2742173
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H6-O7-S
MOLECULAR WEIGHT :
246.20
WISWESSER LINE NOTATION :
WSQR CVQ EVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1056,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1056,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1056,1986

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes C: Corrosive;
HS Code 2917399090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~%

5-Sulfoisophthalic acid Structure

5-Sulfoisophtha...

CAS#:22326-31-4

Learn More
Literature: Chemische Berichte, , vol. 13, p. 493

~5%

5-Sulfoisophthalic acid Structure

5-Sulfoisophtha...

CAS#:22326-31-4

Learn More
Literature: Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 73, # 1-4 p. 5 - 14

~43%

5-Sulfoisophthalic acid Structure

5-Sulfoisophtha...

CAS#:22326-31-4

Learn More
Literature: Evans, Brian J.; Doi, Joyce Takahashi; Musker, W. Kenneth Phosphorus, Sulfur and Silicon and the Related Elements, 1992 , vol. 73, # 1-4 p. 5 - 14

 Preparation

This table records publicly available preparation methods, process key points and operation references.


 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2917399090
Summary 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3,5-dicarboxybenzenesulfonic acid
5-Sulfoisophthalicacid
1,3-Benzenedicarboxylic acid,5-sulfo
5-Sulphoisophthalic acid
5-sulfobenzene-1,3-dicarboxylic acid
5-sulfo-1,3-benzenedicarboxylate
5-Sulfaisophalic acid (5-SIPA)
EINECS 244-912-9
MFCD00066788
5-Sulfo-1,3-benzenedicarboxylic acid
5-Sulfoisophthalic acid

 5-Sulfoisophthalic acid | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 5-sulfobenzene-1,3-dicarboxylic acid?
A: CAS number of 5-sulfobenzene-1,3-dicarboxylic acid is 22326-31-4.
Q: What is the SMILES notation of 5-sulfobenzene-1,3-dicarboxylic acid?
A: SMILES notation of 5-sulfobenzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1.
Q: How is 5-sulfobenzene-1,3-dicarboxylic acid prepared?
A: Preparation method for 5-sulfobenzene-1,3-dicarboxylic acid: .
Q: What is the LogP of 5-sulfobenzene-1,3-dicarboxylic acid?
A: LogP of 5-sulfobenzene-1,3-dicarboxylic acid is 0.71.
Q: What is the molecular formula of 5-sulfobenzene-1,3-dicarboxylic acid?
A: Molecular formula of 5-sulfobenzene-1,3-dicarboxylic acid is C8H6O7S.
Q: What is the melting point of 5-sulfobenzene-1,3-dicarboxylic acid?
A: Melting point of 5-sulfobenzene-1,3-dicarboxylic acid is 249-253 °C.
Q: What is the polar surface area (PSA) of 5-sulfobenzene-1,3-dicarboxylic acid?
A: Polar surface area (PSA) of 5-sulfobenzene-1,3-dicarboxylic acid is 137.35000.
Q: What is the InChIKey of 5-sulfobenzene-1,3-dicarboxylic acid?
A: InChIKey of 5-sulfobenzene-1,3-dicarboxylic acid is CARJPEPCULYFFP-UHFFFAOYSA-N.
Q: What is the molecular weight of 5-sulfobenzene-1,3-dicarboxylic acid?
A: Molecular weight of 5-sulfobenzene-1,3-dicarboxylic acid is 246.194.
Q: What English synonyms does 5-sulfobenzene-1,3-dicarboxylic acid have?
A: English synonyms of 5-sulfobenzene-1,3-dicarboxylic acid: 3,5-dicarboxybenzenesulfonic acid, 5-Sulfoisophthalicacid, 1,3-Benzenedicarboxylic acid,5-sulfo, 5-Sulphoisophthalic acid, 5-sulfobenzene-1,3-dicarboxylic acid, 5-sulfo-1,3-benzenedicarboxylate, 5-Sulfaisophalic acid (5-SIPA), EINECS 244-912-9, MFCD00066788, 5-Sulfo-1,3-benzenedicarboxylic acid, 5-Sulfoisophthalic acid.

 5-Sulfoisophthalic acidfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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