Ethyl (chlorosulfonyl)acetate

HCID 12225100CAS 55896-93-0

Basic information

Standard SMILES
CCOC(=O)CS(=O)(=O)Cl
InChIKey
DWCZKKQRUBQFIB-UHFFFAOYSA-N
Molecular formula
C4H7ClO4S
Average molar mass
186.61 g/mol
Monoisotopic mass
185.97535738

Names & identifiers

Preferred name
Ethyl (chlorosulfonyl)acetate
IUPAC
ethyl 2-chlorosulfonylacetate
English name
Ethyl 2-(Chlorosulfonyl)acetate
Molecular formula
C4H7ClO4S
Molecular weight
186.61

Names & synonyms

ethyl (chlorosulfonyl)acetateDTXSID40481258RefChem:1084694DTXCID4043206855896-93-0Ethyl 2-(chlorosulfonyl)acetateethyl 2-chlorosulfonylacetateCHLOROSULFONYL ACETIC ACID ETHYL ESTERMFCD08458866ethyl chlorosulfonylacetateethyl2-(chlorosulfonyl)acetateAcetic acid, (chlorosulfonyl)-, ethyl ester
Show more names
ETHANOIC ACIDACITIC ACIDC2ETHYLIC ACIDFEMA 2006ACETIC ACIDEMETHANECARBOXYLIC ACIDVINEGAR ACIDACETIC ACID R
Ethyl(chlorosulfonyl)acetateSCHEMBL977691ethyl 2-chlorosulfonyl acetateethyl-2-(chlorosulfonyl)acetateDWCZKKQRUBQFIB-UHFFFAOYSA-Nethoxycarbonylmethylsulfonyl chlorideSBB066453chlorosulfonyl-acetic acid ethyl ester

Database identifiers

CAS
55896-93-0
PubChem CID
12225100
DTXSID
DTXSID40481258
EC Number
818-924-5
Nikkaji
J2.419.166D

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
10

Physicochemical properties

Melting point
16.2 °C · 16.2 °C(lit.)
Boiling point
117 · 117-118 °C(lit.)
Density
1.049 g/mL · 1.049 g/mL at 25 °C(lit.)
vapor density
2.07 · 2.07 (vs air)
vapor pressure
11.4 mm · 11.4 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.371(lit.)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

wgk
1
rtecs
AF1225000
ridadr
UN 2790 8/PG 2
hs_code
2915907098
risk_code
34-41
Signal word
Warning

Chemistry & industry

Applications · 4 items

UsesUsed in the manufacture of vinyl acetate monomer (VAM), this accounts for one-third of acetic acid consumption. As a food additive (condiment, ingredient) or as a preservative, it is found in Vinegar solutions, usually between 3-9% in concentration. In the production of various synthetic materials, acetic acid is a precursor and solvent for various glues and plastics such as polyvinyl acetate, cellulose acetate, nylon and dimethyl terephthalate. As an agent widely used in the manufacture of organic compounds which are constituent parts of food ingredients, various dye stuffs and perfumes, Rayon fibre, synthetic fibres and textiles, inks and dyes, soft drinks bottles, rubbers and plactics, and pesticides. In waste water treatment, acetic acid may be dosed to correct highly alkaline pH from where caustic soda has been dosed to the fluid stream. For testing blood in clinical laboratory For the treatment of outer ear infections from the growth of fungus and bacteria

UsesPharmaceutic aid (acidifying agent).

UsesAcetic Acid is an acid produced chemically from the conversion of alcohol to acetaldehyde to acetic acid. it is the principal component of vinegar which contains not less than 4 g of acetic acid in 100 cm3 at 20°c. the approved salts include sodium acetate, calcium acetate, sodium diacetate, and calcium diacetate. it is used as a preservative, acidulant, and flavoring agent in catsup, mayonnaise, and pickles. it can be used in conjunction with leavening agents to release carbon dioxide from sodium bicarbonate.

UsesColorless liquid prepared by the distillation of wood or the oxidation of dilute ethyl alcohol. Acetic acid has a very pungent smell, and the vapors are flammable. When obtained in full strength (99 percent), it congeals as an ice-like solid at 16.7°C. For this reason the term glacial is also used to describe this acid. It is soluble in water, alcohol, ether, chloroform, and gelatin. Acetic acid was used as a restrainer for the physical development of calotypes, Niépceotypes, and collodion plates. Photographers also used it to retard non-image reduction of these processes by adding it to the silver nitrate solution. Acetic acid is used as a stop bath and as a solvent for gelatin.

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

23 records

Linked notes

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