2-Propenoic acid, 2-(bromomethyl)-, methyl ester

HCID 521093CAS 4224-69-5

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Grundinformationen

Standard-SMILES: C=C(CBr)C(=O)OC
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
Summenformel: C5H7BrO2
Durchschnittliche Molmasse: 179,01 g/mol
Monoisotopische Masse: 177,96294156

Namen und Bezeichner

Bevorzugter Name: 2-Propenoic acid, 2-(bromomethyl)-, methyl ester
IUPAC: methyl 2-(bromomethyl)prop-2-enoate
Englischer Name: Methyl 2-(bromomethyl)acrylate
Summenformel: C5H7BrO2
Molmasse: 179.01

Namen und Synonyme

methyl 2-(bromomethyl)prop-2-enoateMethyl 2-(bromomethyl)-2-propenoate2-Propenoic acid, 2-(bromomethyl)-, methyl esterDTXSID4075243RefChem:479158DTXCID20400742-Propenoic acid, 2-(bromomethyl)-, methyl ester (9CI)627-431-2Methyl 2-(bromomethyl)acrylate4224-69-5MFCD000116972-(Bromomethyl)acrylic Acid Methyl Ester

Weitere Namen anzeigen

2-BROMOMETHYL METHYL ACRYLATEMethyl 2-(bromomethyl)propenoateMethyl2-(Bromomethyl)acrylate>methyl2-(bromomethyl)-2-propenoateMethyl 2-(bromomethyl)acrylate,96%2-(bromomethyl)-acrylicacimethylesterMethyl 2-(broMoMethyl)acrylate, 96% 5GRα-(Bromomethyl)acrylic acid methyl ester

2-(bromomethyl)-2-propenoicacimethylesterMethyl alpha-(bromomethyl)acrylatemethyl 2-bromomethylacrylateBRN 1852481Methyl2-(Bromomethyl)acrylateAcrylic acid, 2-(bromomethyl)-, methyl esterMethyl Bromomethyl Acrylatemethyl-2-bromomethylacrylate

Datenbank-Bezeichner

CAS: 4224-69-5
PubChem CID: 521093
DTXSID: DTXSID4075243
ChEMBL: CHEMBL1255721
EC Number: 627-431-2
Nikkaji: J450.250G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 109

Physikochemische Eigenschaften

Siedepunkt: 35 · 35-37 °C/1.3 mmHg (lit.)
Dichte: 1.489 g/mL · 1.489 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.490(lit.)
Flammpunkt: 173 °F · 173 °F
storage temp.: -20 °C · -20°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly brownish
BRN: 1852481 · 1852481
Stabilität: Light Sensitive
InChI: InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(CBr)=C
CAS Datenbank: 4224 · 4224-69-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Methyl 2-(bromomethyl)acrylate(4224-69-5)
EPA chemische Informationen: 2 · 2-Propenoic acid, 2-(bromomethyl)-, methyl ester (4224-69-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Propenoic acid, 2-(bromomethyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)