Ethyl 2,3-dibromopropionate (HCID 97945)

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 properties

XLogP: 2.1
Topological polar surface area: 26.3 Å²
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
NIST Chemistry Reference: 2 · Propanoic acid, 2,3-dibromo-, ethyl ester(3674-13-3)
EPA Substance Registry System: 2 · Ethyl 2,3-dibromopropionate (3674-13-3)
UNSPSC Code: 12352108 · 12352108
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311-H314
Precautionary statements: 270 · P270-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 22 · 22-24-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2922 · UN 2922 8/PG 2
WGK Germany: 2 · 2
RTECS: 2458382 · UA2458382
F: 19 · 19-21
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29159080 · 29159080
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Toxicity: 50 orally · LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rabbit 230 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 2 items

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
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: III
Hazard statements: H301+H311-H314
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Precautionary statements: P270-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338

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.