Ethyl (phenylsulphonyl)acetate
Basic information
- CAS
7605-30-3- Standard SMILES
CCOC(=O)CS(=O)(=O)c1ccccc1- InChIKey
NJBWORPRIRNTLH-UHFFFAOYSA-N- Molecular formula
- C10H12O4S
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.04563003
Names & identifiers
- Preferred name
- Ethyl (phenylsulphonyl)acetate
- IUPAC
- ethyl 2-(benzenesulfonyl)acetate
- English name
- Phenylsulfonylacetic acid ethyl ester
- Molecular formula
- C10H12O4S
- Molecular weight
- 228.26
Names & synonyms
7605-30-3Ethyl (phenylsulphonyl)acetateEINECS 231-516-6DTXSID50226950RefChem:593159DTXCID80149441231-516-6ethyl 2-(phenylsulfonyl)acetateEthyl Phenylsulfonylacetateethyl 2-(benzenesulfonyl)acetatePhenylsulfonylacetic Acid Ethyl EsterMFCD00025041
Show more names
Ethyl-(phenylsulfonyl)acetatEthylPhenylsulfonylacetate>ETHYL (PHENYLSULFONYL)ACETATEEthyl (benzenesulphonyl)acetate(Phenylsulfonyl)acetic acid ethyl[(2-Ethoxy-2-oxoethyl)sulphonyl]benzene
ethyl benzenesulfonylacetateethyl (phenylsulfonyl)acetateethyl (benzenesulfonyl)acetatephenyl carbethoxymethyl sulfoneHMS2338D12P130610X-0939ethyl 2-(phenylsulfon
Database identifiers
- CAS
7605-30-3- PubChem CID
- 82078
- DTXSID
DTXSID50226950- ChEMBL
CHEMBL1585295- EC Number
- 231-516-6
- Nikkaji
- J31.565F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 44 °C · 44°C
- storage temp.
- 2 · 2-8°C
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 7605 · 7605-30-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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