5-(Chlorosulfonyl)-2-fluorobenzoic acid

Modify Date: 2026-06-30 16:49:50

5-(Chlorosulfonyl)-2-fluorobenzoic acid Structure
5-(Chlorosulfonyl)-2-fluorobenzoic acid structure
Common Name 5-(Chlorosulfonyl)-2-fluorobenzoic acid
CAS Number 37098-75-2 Molecular Weight 238.621
Density 1.7±0.1 g/cm3 Boiling Point 404.0±30.0 °C at 760 mmHg
Molecular Formula C7H4ClFO4S Melting Point 111-113℃
MSDS USA Flash Point 198.1±24.6 °C

 Names

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

Name 5-(Chlorosulfonyl)-2-fluorobenzoic 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 1.7±0.1 g/cm3
Boiling Point 404.0±30.0 °C at 760 mmHg
Melting Point 111-113℃
Molecular Formula C7H4ClFO4S
Molecular Weight 238.621
Flash Point 198.1±24.6 °C
Exact Mass 237.950287
PSA 79.82000
LogP 2.29
Appearance of Characters Crystalline Powder | White to off-white
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.569
InChIKey CISMZCVQNVNWJW-UHFFFAOYSA-N
SMILES O=C(O)c1cc(S(=O)(=O)Cl)ccc1F

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 5-(Chlorosulfonyl)-2-fluorobenzoic acid
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H318:Causes serious eye damage
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P280:Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:5-(Chlorosulfonyl)-2-fluorobenzoic acid
CAS number:37098-75-2

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels, refrigerated.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C7H4ClFO4S
Molecular weight: 238.6

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, hydrogen fluoride, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
UN Number:UN3261 Class: 8 Packing group: III
Proper shipping name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (5-(Chlorosulfonyl)-2-fluorobenzoic acid)

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

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

Hazard Codes C
HS Code 2916399090

 Synthetic Route

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

~77%

5-(Chlorosulfonyl)-2-fluorobenzoic acid Structure

5-(Chlorosulfon...

CAS#:37098-75-2

Learn More
Literature: Pfizer Inc. Patent: US6207829 B1, 2001 ;

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  1

DownStream  2

 Customs

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

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

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

5-(Chlorosulphonyl)-2-Fluorobenzoic Acid
5-chlorosulfonyl-2-fluorobenzoic acid
5-(Chlorosulfonyl)-2-fluorobenzoic acid

 5-(Chlorosulfonyl)-2-fluorobenzoic acid | FAQ

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

Q: What are the downstream products of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: Related downstream products(CAS) of 5-(Chlorosulfonyl)-2-fluorobenzoic acid: 247569-56-8;112887-25-9.
Q: What is the English name of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: The English name of 5-(Chlorosulfonyl)-2-fluorobenzoic acid is 5-(Chlorosulfonyl)-2-fluorobenzoic acid.
Q: What English synonyms does 5-(Chlorosulfonyl)-2-fluorobenzoic acid have?
A: English synonyms of 5-(Chlorosulfonyl)-2-fluorobenzoic acid: 5-(Chlorosulphonyl)-2-Fluorobenzoic Acid, 5-chlorosulfonyl-2-fluorobenzoic acid, 5-(Chlorosulfonyl)-2-fluorobenzoic acid.
Q: What is the boiling point of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: Boiling point of 5-(Chlorosulfonyl)-2-fluorobenzoic acid is 404.0±30.0 °C at 760 mmHg.
Q: What is the polar surface area (PSA) of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: Polar surface area (PSA) of 5-(Chlorosulfonyl)-2-fluorobenzoic acid is 79.82000.
Q: What is the molecular formula of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: Molecular formula of 5-(Chlorosulfonyl)-2-fluorobenzoic acid is C7H4ClFO4S.
Q: What are the upstream materials of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: Related upstream materials(CAS) of 5-(Chlorosulfonyl)-2-fluorobenzoic acid: 445-29-4.
Q: What is the SMILES notation of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: SMILES notation of 5-(Chlorosulfonyl)-2-fluorobenzoic acid is O=C(O)c1cc(S(=O)(=O)Cl)ccc1F.
Q: What is the molecular weight of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: Molecular weight of 5-(Chlorosulfonyl)-2-fluorobenzoic acid is 238.621.
Q: What is the InChIKey of 5-(Chlorosulfonyl)-2-fluorobenzoic acid?
A: InChIKey of 5-(Chlorosulfonyl)-2-fluorobenzoic acid is CISMZCVQNVNWJW-UHFFFAOYSA-N.

 5-(Chlorosulfonyl)-2-fluorobenzoic 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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