Ethyl-2,3-dibrompropionat

Ethyl 2,3-dibromopropionate

HCID 97945CAS 3674-13-3

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Grundinformationen

Standard-SMILES: CCOC(=O)C(Br)CBr
InChIKey: OENICUBCLXKLJQ-UHFFFAOYSA-N
Summenformel: C5H8Br2O2
Durchschnittliche Molmasse: 259,92 g/mol
Monoisotopische Masse: 257,8891037

Namen und Bezeichner

Bevorzugter Name: Ethyl 2,3-dibromopropionate
IUPAC: ethyl 2,3-dibromopropanoate
Lokaler Name: Ethyl-2,3-dibrompropionat
Englischer Name: Ethyl 2,3-dibromopropionate
Summenformel: C5H8Br2O2
Molmasse: 259.92

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

CAS: 3674-13-3
PubChem CID: 97945
DTXSID: DTXSID80871038
UNII: A5XYS8QB3E
EC Number: 222-941-8
Nikkaji: J205.586D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 9
Formalladung: 0
Komplexität: 95

Physikochemische Eigenschaften

Siedepunkt: 211 · 211-214 °C/746 mmHg (lit.)
Dichte: 1.788 g/mL · 1.788 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5(lit.)
Flammpunkt: 197 °F · 197 °F
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wichte: 1.785 · 1.785
Wasserlöslichkeit: 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 Datenbank: 3674 · 3674-13-3(CAS DataBase Reference)
NIST chemische Informationen: 2 · Propanoic acid, 2,3-dibromo-, ethyl ester(3674-13-3)
EPA chemische Informationen: 2 · Ethyl 2,3-dibromopropionate (3674-13-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

F: 19-21
wgk: 2
tsca: TSCA listed
ridadr: UN 2922 8/PG 2
hs_code: 29159080
RTECS-Nr.: UA2458382
risk_code: 22-24-34
Toxizität: LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rabbit 230 mg/kg
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropanoic acid, 2,3-dibromo-, ethyl ester: ACTIVE

Anwendungen

VerwendenEthyl 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.