Ethylbromphenylacetat

Ethyl bromophenylacetate

HCID 97780CAS 2216-90-2

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Grundinformationen

Standard-SMILES: CCOC(=O)C(Br)c1ccccc1
InChIKey: BKTKLDMYHTUESO-UHFFFAOYSA-N
Summenformel: C10H11BrO2
Durchschnittliche Molmasse: 243,1 g/mol
Monoisotopische Masse: 241,99424169

Namen und Bezeichner

Bevorzugter Name: Ethyl bromophenylacetate
IUPAC: ethyl 2-bromo-2-phenylacetate
Lokaler Name: Ethylbromphenylacetat
Englischer Name: Ethyl α-bromophenylacetate
Summenformel: C10H11BrO2
Molmasse: 243.1

Namen und Synonyme

ethyl 2-bromo-2-phenylacetateEthyl alpha-bromophenylacetateEthyl bromophenylacetateBenzeneacetic acid, alpha-bromo-, ethyl esterDTXSID8041951Benzeneacetic acid, .alpha.-bromo-, ethyl ester0N3C9JY41XEINECS 220-735-2NSC-38807DTXCID6021951NSC 38807DL-.ALPHA.-BROMOPHENYLACETIC ACID ETHYL ESTER

Weitere Namen anzeigen

ETHYL 2-(2-BROMOPHENYL)ACETATEETHYL A-BROMOPHENYLACETATEETHYL 2-BROMOPHENYLACETATEethyl à-bromophenylacetateethyleα-bromophenylacetateEthyl bromo(phenyl)acetateEthyl α-bromophenylacetate

RefChem:596144ETHYL BROMOPHENYLACETATE, (+-)-ETHYL (+-)-ALPHA-BROMOPHENYLACETATEETHYL (+-)-ALPHA-BROMOBENZENEACETATEETHYL (+-)-.ALPHA.-BROMOBENZENEACETATEETHYL (+-)-.ALPHA.-BROMOPHENYLACETATEDL-ALPHA-BROMOPHENYLACETIC ACID ETHYL ESTER220-735-2

Datenbank-Bezeichner

CAS: 2216-90-2、2882-19-1
PubChem CID: 97780
DTXSID: DTXSID8041951
ChEMBL: CHEMBL3187649
UNII: 0N3C9JY41X
EC Number: 218-701-7、220-735-2
Nikkaji: J62.890E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Siedepunkt: 89 · 89-92 °C/0.9 mmHg (lit.)
Dichte: 1.389 g/mL · 1.389 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D >1.5390(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Not miscible or difficult to mix in water.
InChI: 1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey: BKTKLDMYHTUESO-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Br)c1ccccc1
CAS Datenbank: 2882 · 2882-19-1(CAS DataBase Reference)
EPA chemische Informationen: Ethyl .alpha.-bromophenylacetate (2882-19-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29163990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

VerwendenETHYL ALPHA-BROMOPHENYLACETATE is used as an alkyl halide initiator in controlled/living radical polymerization of styrene and methyl methacrylate.