Grundinformationen
- Standard-SMILES
COc1ccc(Br)cc1C- InChIKey
UDLRGQOHGYWLCS-UHFFFAOYSA-N- Summenformel
- C8H9BrO
- Durchschnittliche Molmasse
- 201,06 g/mol
- Monoisotopische Masse
- 199,98367701
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromo-1-methoxy-2-methylbenzene
- IUPAC
- 4-bromo-1-methoxy-2-methylbenzene
- Englischer Name
- 4-Bromo-1-methoxy-2-methylbenzene
- Summenformel
- C8H9BrO
- Molmasse
- 201.06
Namen und Synonyme
4-Bromo-2-methylanisole14804-31-04-Bromo-1-methoxy-2-methylbenzeneUDLRGQOHGYWLCS-UHFFFAOYSA-DTXSID50345958RefChem:518983DTXCID20297031604-620-8InChI=1/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H35-Bromo-2-methoxytolueneBenzene, 4-bromo-1-methoxy-2-methyl-MFCD01321139
Weitere Namen anzeigen
BromomethoxytolueneMethyl-4-bromoanisole2-METHYL-4-BROMOANISOLE2-Methoxy-5-bromotoluene4-Allyloxy BroMo Benzene4-BROMO-2-METHYLANISOLE 98%5-Bromo-2-methoxytoluene >5-BROMO-2-METHOXYTOLUENE 98+%
4-BROMO-1-METHOXY-2-METHYL-BENZENESCHEMBL811314-Bromo-2-methylanisole, 98%1-bromo-4-methoxy-3-methylbenzene4-Bromo-1-methoxy-2-methylbenzene #AKOS009159159DS-14595SY018966
Datenbank-Bezeichner
- CAS
14804-31-0- PubChem CID
- 608315
- DTXSID
DTXSID50345958- EC Number
- 604-620-8
- Nikkaji
- J32.075G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 105
Physikochemische Eigenschaften
- Schmelzpunkt
- 66 · 66-69 °C(lit.)
- Siedepunkt
- 124 · 124-125°C 25mm
- Dichte
- 1.378 · 1.378±0.06 g/cm3 (20 ºC 760 Torr)
- Flammpunkt
- 124 · 124-125°C/25mm
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- BRN
- 208224 · 208224
- InChI
- 1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
- InChIKey
- UDLRGQOHGYWLCS-UHFFFAOYSA-N
- SMILES
- COc1ccc(Br)cc1C
- CAS Datenbank
- 14804 · 14804-31-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29093090
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden4-Bromo-2-methylanisole may be used in the synthesis of 4-isopropyl-2-methylphenol and 4-methoxy-3-methylphenol.
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