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
Show more names
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
- Formal charge
- 0
- Complexity
- 202
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.)
- Flash point
- 104 °F · 104 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Benzene, Chloroform
- pka
- 4.76 · 4.76(at 25℃)
- form
- Liquid
- color
- Colorless
- Odor
- Characteristic vinegar, pungent; vinegar-like; sharp.
- Relative polarity
- 0.648 · 0.648
- Exposure limits
- 10 ppm; · ACGIH: TWA 10 ppm; STEL 15 ppmOSHA: TWA 10 ppm(25 mg/m3)NIOSH: IDLH 50 ppm; TWA 10 ppm(25 mg/m3); STEL 15 ppm(37 mg/m3)
- Stability
- Moisture Sensitive, Hygroscopic
- CAS DataBase Reference
- 55896 · 55896-93-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-41
- Safety Statements
- 23 · 23-26-45-39
- RIDADR
- 2790 · UN 2790 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 1225000 · AF1225000
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2915907098 · 2915907098
Safety & regulation
GHS classification
GHS Classification
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
Safety data
- wgk
- 1
- rtecs
- AF1225000
- ridadr
- UN 2790 8/PG 2
- hs_code
- 2915907098
- risk_code
- 34-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,Xi
- safety_code
- 23-26-45-39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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