Basic information
- Standard SMILES
CCOC(=O)CCCl- InChIKey
ZCLGVXACCAZJOX-UHFFFAOYSA-N- Molecular formula
- C5H9ClO2
- Average molar mass
- 136.58 g/mol
- Monoisotopic mass
- 136.02910721
Names & identifiers
- Preferred name
- Ethyl 3-chloropropionate
- IUPAC
- ethyl 3-chloropropanoate
- English name
- Ethyl 3-chloropropionate
- Molecular formula
- C5H9ClO2
- Molecular weight
- 136.58
Names & synonyms
Ethyl 3-chloropropionateEthyl 3-chloropropanoatePropanoic acid, 3-chloro-, ethyl esterNSC 8845EINECS 210-809-2AI3-52373DTXSID5060774ZCLGVXACCAZJOX-UHFFFAOYSA-3-Chloropropionic acid, ethyl esterRefChem:138687DTXCID9043306210-809-2
Show more names
DK847DKSI146DKFELEX0223Ethyl 3-chloropropioETHYL 3-CHOOROCAETATEEthyl 3-chloropropionEthyl chloropropionateEthyl-3-chlorpropionatethyl3-chloropropanoate
InChI=1/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3ZCLGVXACCAZJOX-UHFFFAOYSA-N623-71-23-Chloropropionic Acid Ethyl EsterEthyl beta-chloropropionateETHYL-3-CHLOROPROPIONATEPropionic acid, 3-chloro-, ethyl esterMFCD00000989
Database identifiers
- CAS
623-71-2- PubChem CID
- 69341
- DTXSID
DTXSID5060774- EC Number
- 210-809-2
- Nikkaji
- J80I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 162 · 162-163 °C(lit.)
- Density
- 1.003 g/mL · 1.003 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.425(lit.)
- Flash point
- 130 °F · 130 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1 · 1.00
- Water Solubility
- Immiscible
- BRN
- 385698 · 385698
- Dielectric constant
- 10.1 · 10.1(20℃)
- InChI
- InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
- InChIKey
- ZCLGVXACCAZJOX-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CCCl
- CAS DataBase Reference
- 623 · 623-71-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · Ethyl 3-chloropropionate(623-71-2)
- EPA Substance Registry System
- 3 · Propanoic acid, 3-chloro-, ethyl ester (623-71-2)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-10
- Safety Statements
- 26 · 26-36-37/39-16
- RIDADR
- 3272 · 3272
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29159080 · 29159080
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Propanoic acid, 3-chloro-, ethyl ester
Ethyl 3-chloropropionate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3272
- hs_code
- 29159080
- risk_code
- 36/37/38-10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H315-H319-H226
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3-chloro-, ethyl ester: ACTIVE
Applications
UsesEthyl β-chloropropionate, is a building block used in various chemical synthesis.
Upstream & downstream products
Downstream products
Suppliers50 total
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