Ethyl (chlorosulfonyl)acetate

Modify Date: 2024-01-04 18:18:09

Ethyl (chlorosulfonyl)acetate Structure
Ethyl (chlorosulfonyl)acetate structure
Common Name Ethyl (chlorosulfonyl)acetate
CAS Number 55896-93-0 Molecular Weight 186.614
Density 1.4±0.1 g/cm3 Boiling Point 244.3±23.0 °C at 760 mmHg
Molecular Formula C4H7ClO4S Melting Point 16.2ºC(lit.)
MSDS USA Flash Point 101.5±22.6 °C

 Names

Name ethyl 2-chlorosulfonylacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 244.3±23.0 °C at 760 mmHg
Melting Point 16.2ºC(lit.)
Molecular Formula C4H7ClO4S
Molecular Weight 186.614
Flash Point 101.5±22.6 °C
Exact Mass 185.975357
PSA 68.82000
LogP 0.87
Vapour density 2.07 (vs air)
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.465
Storage condition -196°C

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Chlorosulfonyl acetic acid ethyl ester
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Chlorosulfonyl acetic acid ethyl ester
CAS number:55896-93-0

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.
Store in closed vessels.
Storage:

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
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C4H7ClO4S
Molecular weight:186.6

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, 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
Non-harzardous for air and ground transportation.

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 C,Xi
Risk Phrases R34
Safety Phrases 23-26-45
RIDADR UN 2790 8/PG 2
WGK Germany 1
RTECS AF1225000
Packaging Group III
HS Code 2915900090

 Synthetic Route

~81%

Ethyl (chlorosulfonyl)acetate Structure

Ethyl (chlorosu...

CAS#:55896-93-0

Literature: InterMune, Inc. Patent: US2009/269305 A1, 2009 ;

~92%

Ethyl (chlorosulfonyl)acetate Structure

Ethyl (chlorosu...

CAS#:55896-93-0

Literature: Liu, Yajing; Liu, Zijian; Shi, Jiyue; Chen, Huimin; Mi, Bin; Li, Peng; Gong, Ping Molecules, 2013 , vol. 18, # 3 p. 2864 - 2877

~59%

Ethyl (chlorosulfonyl)acetate Structure

Ethyl (chlorosu...

CAS#:55896-93-0

Literature: Wolckenhauer, Scott A.; Devlin, A. Sloan; Du Bois Organic Letters, 2007 , vol. 9, # 21 p. 4363 - 4366

~71%

Ethyl (chlorosulfonyl)acetate Structure

Ethyl (chlorosu...

CAS#:55896-93-0

Literature: Weidner, Karin; Giroult, Andre; Panchaud, Philippe; Renaud, Philippe Journal of the American Chemical Society, 2010 , vol. 132, # 49 p. 17511 - 17515

~55%

Ethyl (chlorosulfonyl)acetate Structure

Ethyl (chlorosu...

CAS#:55896-93-0

Literature: Reddy, M. V. Ramana; Mallireddigari, Muralidhar R.; Pallela, Venkat R.; Cosenza, Stephen C.; Billa, Vinay K.; Akula, Balaiah; Subbaiah, D. R. C. Venkata; Bharathi, E. Vijaya; Padgaonkar, Amol; Lv, Hua; Gallo, James M.; Reddy, E. Premkumar Journal of Medicinal Chemistry, 2013 , vol. 56, # 13 p. 5562 - 5586

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

Chlorosulfonyl acetic acid ethyl ester
Ethyl (chlorosulfonyl)acetate
Ethyl2-(Chlorosulfonyl)acetate
ethyl 2-chloranylsulfonylethanoate
Acetic acid, 2-(chlorosulfonyl)-, ethyl ester
ClSO2CH2COOEt
MFCD00036152
ClSO2CH2CO2Et
ethoxycarbonylmethylsulfonyl chloride
ethoxy carbonyl methanesulfonyl chloride
Chlorosulfonyl-acetic acid ethyl ester
EINECS 200-580-7
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