1-Bromo-4-(diethoxymethyl)benzene

HCID 688340

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Grundinformationen

CAS: 34421-94-8
Standard-SMILES: CCOC(OCC)c1ccc(Br)cc1
InChIKey: BFSNEBVTOODGHZ-UHFFFAOYSA-N
Summenformel: C11H15BrO2
Durchschnittliche Molmasse: 259,14 g/mol
Monoisotopische Masse: 258,02554182

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-4-(diethoxymethyl)benzene
IUPAC: 1-bromo-4-(diethoxymethyl)benzene
Englischer Name: 4-Bromobenzaldehyde diethyl acetal
Summenformel: C11H15BrO2
Molmasse: 259.14

Namen und Synonyme

1-Bromo-4-(diethoxymethyl)benzeneRefChem:430585678-205-534421-94-84-Bromobenzaldehyde diethyl acetal4-BromobenzaldehydeDiethylAcetalMFCD018635144-bromobenzaldehyde diethylacetal4-bromobenzaldehydediethyl acetalAKOS005207008CS-W0101564-Bromobenzaldehyde diethyl acetal, 99%

Weitere Namen anzeigen

4-Bromo-,-Diethoxytoluene4-bromobenzaldehyde acetal4-bromo-à,à-diethoxytoluene4-bromobenzaldehyde dithyl acetal4-Bromo-alpha,alpha-diethoxytoluene4-Bromobenzaldehydediethylacetal,98%4-Bromobenzaldehyde Diethyl Acetal >

CS-17336D77705Benzene, 1-bromo-4-(diethoxymethyl)-1-Bromo-4-diethoxymethyl-benzeneAMY7729SCHEMBL508188DTXSID503508801-bromo-4-(diethoxymethyl) benzene

Datenbank-Bezeichner

CAS: 34421-94-8
PubChem CID: 688340
DTXSID: DTXSID50350880
EC Number: 678-205-5
Nikkaji: J2.056.738D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Siedepunkt: 75 °C0.2 · 75 °C0.2 mm Hg(lit.)
Dichte: 1.274 g/mL · 1.274 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.513(lit.)
Flammpunkt: 221 °F · 221 °F
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to pale yellow
BRN: 2448775 · 2448775
InChI: 1S/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3
InChIKey: BFSNEBVTOODGHZ-UHFFFAOYSA-N
SMILES: CCOC(OCC)c1ccc(Br)cc1
CAS Datenbank: 34421 · 34421-94-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 29110000
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 24/25-37/39-26
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden4-Bromobenzaldehyde diethyl acetal is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.