Ethyl alpha-chloropropionate, (-)-
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Basic information
- CAS
42411-39-2- Standard SMILES
CCOC(=O)[C@H](C)Cl- InChIKey
JEAVBVKAYUCPAQ-BYPYZUCNSA-N- Molecular formula
- C5H9ClO2
- Average molar mass
- 136.58 g/mol
- Monoisotopic mass
- 136.0291072
Names & identifiers
- Preferred name
- Ethyl alpha-chloropropionate, (-)-
- IUPAC
- ethyl (2S)-2-chloropropanoate
- English name
- ETHYL (S)-2-CHLORO PROPIONATE
- Molecular formula
- C5H9ClO2
- Molecular weight
- 136.58
Names & synonyms
74497-15-7ethyl (2S)-2-chloropropanoate(-)-Ethyl alpha-chloropropionateEthyl (S)-2-chloropropionate(-)-Ethyl 2-chloropropionateEthyl L-alpha-chloropropionateSQ49R2F429Ethyl alpha-chloropropionate, (-)-Propanoic acid, 2-chloro-, ethyl ester, (2S)-ETHYL L-.ALPHA.-CHLOROPROPIONATE(-)-ETHYL .ALPHA.-CHLOROPROPIONATEETHYL .ALPHA.-CHLOROPROPIONATE, (-)-
Show more names
JEAVBVKAYUCPAQ-BYPYZUCNSA-N(S)-2-Chloropropionic Ethyl Ester(S)-2-Chloropropanoic acid ethyl ester
RefChem:596095838-772-3UNII-SQ49R2F429(S)-Ethyl 2-chloropropanoate(s)-2-chloro-propionic acid ethyl esterETHYL (S)-2-CHLORO PROPIONATE(S)-Ethyl2-chloropropanoateSCHEMBL604352
Database identifiers
- CAS
42411-39-2、74497-15-7- PubChem CID
- 6993097
- DTXSID
DTXSID00426347- UNII
- SQ49R2F429
- EC Number
- 838-772-3
- Nikkaji
- J1.644.177E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 149 ℃ · 149℃
- Density
- 1.081 · 1.081
- Flash point
- 50 ℃ · 50℃
- FDA UNII
- 49 R2F429 · SQ49R2F429
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H226-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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