Oxalylbromid

Ethanedioyl dibromide

HCID 84841CAS 15219-34-8

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Grundinformationen

Standard-SMILES: O=C(Br)C(=O)Br
InChIKey: JAZLVNXWYDFQFE-UHFFFAOYSA-N
Summenformel: C2Br2O2
Durchschnittliche Molmasse: 215,83 g/mol
Monoisotopische Masse: 213,82650344

Namen und Bezeichner

Bevorzugter Name: Ethanedioyl dibromide
IUPAC: oxalyl dibromide
Lokaler Name: Oxalylbromid
Englischer Name: OXALYL BROMIDE
Summenformel: C2Br2O2
Molmasse: 215.83

Namen und Synonyme

Oxalyl bromideEthanedioyl dibromide15219-34-8oxalyl dibromideEthanedioyl bromideoxalylbromideMFCD00000113YZQ2D2RT2QNSC-96957NSC 96957C2Br2O2BrCOCOBr

Weitere Namen anzeigen

OBLEPDCAD11CDHOBOXALYL BROMOOxaly bromideOxayl Bromide

EINECS 239-271-7Oxalyl bromide, 97%UNII-YZQ2D2RT2QSCHEMBL186868DTXSID9065869NSC96957AKOS015901745AS-85803

Datenbank-Bezeichner

CAS: 15219-34-8
PubChem CID: 84841
DTXSID: DTXSID9065869
UNII: YZQ2D2RT2Q
EC Number: 239-271-7
Nikkaji: J218.380C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 75,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Ketones

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionClear dark yellow liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -19 °C · -19 °C (lit.)
Siedepunkt: 16 · 16-17 °C/10 mmHg (lit.)
Dichte: 1.517 g/mL · 1.517 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.522(lit.)
Flammpunkt: -19 °C · -19°C
storage temp.: 2 · 2-8°C
Löslichkeit: Benzene (Slightly), Chloroform
Aggregatzustand: Liquid
Farbe: Clear
Biologische Quelle: goat
BRN: 1744437 · 1744437
Stabilität: Moisture Sensitive
InChI: InChI=1S/C2Br2O2/c3-1(5)2(4)6
InChIKey: JAZLVNXWYDFQFE-UHFFFAOYSA-N
SMILES: C(Br)(=O)C(Br)=O
CAS Datenbank: 15219 · 15219-34-8
EPA chemische Informationen: Ethanedioyl dibromide (15219-34-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryReacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by inhalation; [Sigma-Aldrich MSDS]

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

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 8-9
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29171990
risk_code: 23/24/25-34-40-29-20-14-37
hazard_code: C,T
safety_code: 26-36/37/39-45-28-27
hazard_class: 8
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanedioyl dibromide: ACTIVE

Anwendungen · 1 Eintrag

VerwendenUsed in synthetic applications of carbon-substituted iminium saltsReactant for:Synthesis of mutasynthons added to cultures of A. pretiosum for mutasynthetic generation of ansamitocin derivativesOxalic acid formation from hydroxyl radical substitutionsCyclization to produce CRF1 receptor antagonistsPreparation, optical and electrochemical studies of thiophene end capped olig(2,3-alkylthieno[3,4-b]pyrazine)Asymmetrical synthesis of glycosyl chlorides and bromides