Propanoic acid, 2,3-dichloro-, ethyl ester
Basic information
- CAS
6628-21-3- Standard SMILES
CCOC(=O)C(Cl)CCl- InChIKey
RNZPQAZETZXKCQ-UHFFFAOYSA-N- Molecular formula
- C5H8Cl2O2
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 169.9901349
Names & identifiers
- Preferred name
- Propanoic acid, 2,3-dichloro-, ethyl ester
- IUPAC
- ethyl 2,3-dichloropropanoate
- English name
- Ethyl-2,3-dichloropropionate
- Molecular formula
- C5H8Cl2O2
- Molecular weight
- 171.02
Names & synonyms
Ethyl 2,3-dichloropropionateEthyl 2,3-dichloropropanoatePropanoic acid, 2,3-dichloro-, ethyl esterEthyl alpha,beta-dichloropropionateEINECS 229-607-0NSC 60553Propionic acid, 2,3-dichloro-, ethyl esterDTXSID50871166RefChem:869168DTXCID90818838229-607-06628-21-3
Show more names
Ethyl 2,3-dichloropropionate 97%2,3-dichloro-propanoicaciethylester2,3-DICHLOROPROPIONIC ACID ETHYL ESTER
Ethyl-2,3-DichloropropionateEthyl 2,3-dichloro propionateMFCD00018932NSC-60553F3NS4YG65QSCHEMBL7662332SCHEMBL7662336Ethyl 2,3-dichloropropanoate #
Database identifiers
- CAS
6628-21-3- PubChem CID
- 97946
- DTXSID
DTXSID50871166- UNII
- F3NS4YG65Q
- EC Number
- 229-607-0
- Nikkaji
- J298.018E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 164 · 164-165 °C (lit.)
- Density
- 1.241 g/mL · 1.241 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4480(lit.)
- Flash point
- 183 °F · 183 °F
- InChI
- 1S/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3
- InChIKey
- RNZPQAZETZXKCQ-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(Cl)CCl
- EPA Substance Registry System
- 2 · Ethyl 2,3-dichloropropionate (6628-21-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2,3-dichloro-, ethyl ester: INACTIVE
Applications
UsesEthyl 2,3-dichloropropionate can be prepared from ethyl acrylate via chlorination.
General DescriptionEthyl 2,3-dichloropropionate can be prepared from ethyl acrylate via chlorination.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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