1-Bromo-4-(dimethoxymethyl)benzene

HCID 688342CAS 24856-58-4

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Grundinformationen

Standard-SMILES: COC(OC)c1ccc(Br)cc1
InChIKey: TWFNGPDYMFEHOB-UHFFFAOYSA-N
Summenformel: C9H11BrO2
Durchschnittliche Molmasse: 231,09 g/mol
Monoisotopische Masse: 229,99424169

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-4-(dimethoxymethyl)benzene
IUPAC: 1-bromo-4-(dimethoxymethyl)benzene
Englischer Name: 4-BROMOBENZALDEHYDE DIMETHYL ACETAL
Summenformel: C9H11BrO2
Molmasse: 231.09

Namen und Synonyme

4-Bromobenzaldehyde dimethyl acetal1-bromo-4-(dimethoxymethyl)benzene24856-58-4DTXSID70350882RefChem:430594DTXCID60301949629-494-1918-110-0MFCD01320499Benzene, 1-bromo-4-(dimethoxymethyl)-SCHEMBL65024-bromobenzaldehyde dimethyl ketal

Weitere Namen anzeigen

(4-Bromophenyl)dimethoxymethane1-(Dimethoxymethyl)-4-bromobenzene4 Bromobenzaldehyde dimethyl actalP-BROMO BENZALDEHYDE DIMETHYLACETALBenzene,1-bromo-4-(dimethoxymethyl)-1,1-dimethoxy-1-(4-bromophenyl)methane4-BroMobenzaldehyde diMethyl acetal 98%

4-bromo-benzaldehyde dimethyl ketal4-Bromobenzaldehyde dimethyl acetal, 98%B58194-bromo-benzaldehyde dimethyl acetal4-bromo-benzaldehyde di1-bromo-4-dimethoxymethyl benzene1-bromo-4-dimethoxymethyl-benzeneTWFNGPDYMFEHOB-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 24856-58-4
PubChem CID: 688342
DTXSID: DTXSID70350882
EC Number: 629-494-1、918-110-0
Nikkaji: J314.386D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 118

Physikochemische Eigenschaften

Siedepunkt: 254 °C · 254 °C(lit.)
Dichte: 1.383 g/mL · 1.383 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.532(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
Farbe: Colorless to Light yellow
Wasserlöslichkeit: Insoluble in water.
InChI: 1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
InChIKey: TWFNGPDYMFEHOB-UHFFFAOYSA-N
SMILES: COC(OC)c1ccc(Br)cc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

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

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 20-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21851

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2913000090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Bromobenzaldehyde dimethyl acetal, is used to produce other chemicals, it is used to produce 1-Bromo-4-bromomethyl-benzene at ambient temperature.