Propanoic acid, 2,2-dichloro-, ethyl ester
Basic information
- CAS
17640-03-8- Standard SMILES
CCOC(=O)C(C)(Cl)Cl- InChIKey
TWJKBMRWJYYYFO-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2O2
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 169.9901349
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dichloro-, ethyl ester
- IUPAC
- ethyl 2,2-dichloropropanoate
- English name
- ethyl 2,2-dichloropropionate
- Molecular formula
- C5H8Cl2O2
- Molecular weight
- 171.02
Names & synonyms
Ethyl 2,2-dichloropropionatePropanoic acid, 2,2-dichloro-, ethyl esterEINECS 241-625-0DTXSID6066234RefChem:176324DTXCID5035614241-625-017640-03-8ethyl 2,2-dichloropropanoate2,2-Dichloropropionic acid ethyl esterPH2KJM76T3SCHEMBL7107426
Show more names
Ethyl2,2-dichloropropanoate2,2-Dichloropropanoic acid ethyl ester
SCHEMBL7670045TWJKBMRWJYYYFO-UHFFFAOYSA-NDB-129829CS-0164178NS00053950Propionic acid, 2,2-dichloro-, ethyl esterethyl 2,2-dichloropropanoate? (Flurbiprofen Impurity pound(c)
Database identifiers
- CAS
17640-03-8- PubChem CID
- 86600
- DTXSID
DTXSID6066234- UNII
- PH2KJM76T3
- EC Number
- 241-625-0
- Nikkaji
- J274.494E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- FDA UNII
- 2 KJM76T3 · PH2KJM76T3
- EPA Substance Registry System
- 2 · Ethyl 2,2-dichloropropionate (17640-03-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2,2-dichloro-, ethyl ester: INACTIVE
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Compound notes
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