Ethyl 2,3-dibromopropionate
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Basic information
- CAS
3674-13-3- Standard SMILES
CCOC(=O)C(Br)CBr- InChIKey
OENICUBCLXKLJQ-UHFFFAOYSA-N- Molecular formula
- C5H8Br2O2
- Average molar mass
- 259.92 g/mol
- Monoisotopic mass
- 257.8891037
Names & identifiers
- Preferred name
- Ethyl 2,3-dibromopropionate
- IUPAC
- ethyl 2,3-dibromopropanoate
- English name
- Ethyl 2,3-dibromopropionate
- Molecular formula
- C5H8Br2O2
- Molecular weight
- 259.92
Names & synonyms
Ethyl 2,3-dibromopropionateEthyl 2,3-dibromopropanoatePropanoic acid, 2,3-dibromo-, ethyl esterA5XYS8QB3E2,3-Dibromopropanoic acid ethyl esterNSC-60552DTXSID80871038RefChem:138518DTXCID50818713OENICUBCLXKLJQ-UHFFFAOYSA-N3674-13-3Ethyl2,3-dibromopropionate
Show more names
2,3-dibroMopentanoateEthyl 2,3-dibroMopropiEthyl 2,3-dibromopronateEthyl 2,3-dibromopropioteEthyl2,3-Dibromopropionate>Ethyl 2,3-dibromo-propionoateEthyl 2,3-dibromopropionate,99%2,3-Ethyl dibroMopropionic acid
C5H8Br2O2Propionic acid, 2,3-dibromo-, ethyl ester2,3-Dibromopropionic Acid Ethyl EsterETHYL-2,3-DIBROMOPROPIONATEMFCD00000212Ethyl .alpha.,.beta.-dibromopropionate2,3-Dibromo-propionic acid ethyl esterEthyl alpha,beta-dibromopropionate
Database identifiers
- CAS
3674-13-3- PubChem CID
- 97945
- DTXSID
DTXSID80871038- UNII
- A5XYS8QB3E
- EC Number
- 222-941-8
- Nikkaji
- J205.586D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- 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
Physicochemical properties
- Boiling point
- 211 · 211-214 °C/746 mmHg (lit.)
- Density
- 1.788 g/mL · 1.788 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5(lit.)
- Flash point
- 197 °F · 197 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.785 · 1.785
- Water Solubility
- Insoluble
- BRN
- 636046 · 636046
- InChI
- InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3
- InChIKey
- OENICUBCLXKLJQ-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(Br)CBr
- CAS DataBase Reference
- 3674 · 3674-13-3(CAS DataBase Reference)
- FDA UNII
- 5 XYS8QB3E · A5XYS8QB3E
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
H301+H311 (37.7%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
P260, P262, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 16-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24693
Ethyl 2,3-dibromopropionate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- F
- 19-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UA2458382
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29159080
- Toxicity
- LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rabbit 230 mg/kg
- risk_code
- 22-24-34
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2,3-dibromo-, ethyl ester: ACTIVE
Applications
UsesEthyl 2,3-dibromopropionate is used as pharmaceutical Intermediates. It is a building block that has been used as a catalyst for the polymerization of ethyl acrylate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
60 records
Compound notes
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