3-(4-(CHLOROSULFONYL)PHENYL)PROPANOIC ACID

Modify Date: 2024-02-01 10:07:20

3-(4-(CHLOROSULFONYL)PHENYL)PROPANOIC ACID Structure
3-(4-(CHLOROSULFONYL)PHENYL)PROPANOIC ACID structure
Common Name 3-(4-(CHLOROSULFONYL)PHENYL)PROPANOIC ACID
CAS Number 63545-54-0 Molecular Weight 248.68300
Density 1.462g/cm3 Boiling Point 401.7ºC at 760 mmHg
Molecular Formula C9H9ClO4S Melting Point 130-134ºC
MSDS USA Flash Point 196.8ºC

 Names

Name p-chlorosulfonyldihydrocinnamic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.462g/cm3
Boiling Point 401.7ºC at 760 mmHg
Melting Point 130-134ºC
Molecular Formula C9H9ClO4S
Molecular Weight 248.68300
Flash Point 196.8ºC
Exact Mass 247.99100
PSA 79.82000
LogP 2.71210
Index of Refraction 1.571
Water Solubility It reacts with water.

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: p-Chlorosulfonyldihydrocinnamic acid
Synonyms:3-(4-(chlorosulfonyl)phenyl)propanoic acid

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H314:Causes severe skin burns and eye damage
H318:Causes serious eye damage
P260:Do not breathe dust/fume/gas/mist/vapours/spray
P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P301+P330+P331: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
P405:Store locked up

Section3. Composition/information on ingredients.
Ingredient name:p-Chlorosulfonyldihydrocinnamic acid
CAS number:63545-54-0

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.

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
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C9H9ClO4S
Molecular weight:248.7

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, 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: II
Proper shipping name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (p-Chlorosulfonyldihydrocinnamic 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

Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases S26-S36-S37-S39
RIDADR UN 3261
HS Code 2916399090

 Synthetic Route

~12%

3-(4-(CHLOROSULFONYL)PHENYL)PROPANOIC ACID Structure

3-(4-(CHLOROSUL...

CAS#:63545-54-0

Literature: Garst, Michael E.; Dolby, Lloyd Jay; Esfandiari, Shervin; MacKenzie, Vivian Rose; Avey JR., Alfred Arthur; Muchmore, David Charles; Cooper, Geoffrey Kenneth; Malone, Thomas C. Patent: US2005/38076 A1, 2005 ; Location in patent: Page/Page column 24 ;

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

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

MFCD02179510
3-(4-chlorosulfonylphenyl)propanoic acid
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