Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7730Erstellt: 26. Oktober 2026

4-Bromanisol

1-BROMO-4-METHOXYBENZENE · P-BROMOANISOLE · 2-Bromoanisole,98% · 4-Bromoanisole,98% · 1-bromo-4-methoxy-benzen · 4-Bromoanisole,1-Bromo-4-methoxybenzene · p-Bromanisole · p-bromoanisol

https://huagongshe.com/de/chemical/7730

Molekülstruktur von 4-Bromanisol

Identifikatoren & physikalische Daten

CAS No.104-92-7
SummenformelC7H7BrO
Durchschnittliche Molmasse187,03 g/mol
Monoisotopische Masse185,96802694 g/mol
SMILESCOc1ccc(Br)cc1
InChIKeyQJPJQTDYNZXKQF-UHFFFAOYSA-N
PubChem CID7730
ChEBICHEBI:47257
EC No.203-252-1
DTXSIDDTXSID2059308
Lokaler Name4-Bromanisol

Chemische & physikalische Eigenschaften

XLogP2,8
Polarare Oberfläche (TPSA)9,2
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität77
StoffklassenOther Classes -> Halogenated Anisoles
SpringerMaterials PropertiesBoiling point
LogP (Verteilungskoeffizient)3.15
Physical DescriptionClear light yellow liquidmp = 9-10 deg C[Sigma-Aldrich MSDS]
Schmelzpunkt9-10 °C (lit.)
Siedepunkt223 °C (lit.)
Dichte1.494 g/mL at 25 °C (lit.)
Brechungsindexn20/D 1.564(lit.)
Flammpunkt202 °F
LagerbedingungenStore below +30°C.
LöslichkeitChloroform (Sparingly), Ethyl Acetate (Slightly)immiscible
AggregatzustandLiquid
FarbeClear colorless to slightly yellow
Merck14,1428
BRN1237590
Henry-Konstante1.1×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
Dielektrizitätskonstante7.4000000000000004
StabilitätStable. Combustible. Incompatible with strong oxidizing agents.
InChI1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyQJPJQTDYNZXKQF-UHFFFAOYSA-N
SMILESCOc1ccc(Br)cc1
CAS Datenbank104-92-7(CAS DataBase Reference)
NIST chemische InformationenBenzene, 1-bromo-4-methoxy-(104-92-7)
EPA chemische InformationenBenzene, 1-bromo-4-methoxy- (104-92-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 3.3% (4 of 123) of reports.WarningH315 (12.2%): Causes skin irritation [Warning Skin corrosion/irritation]P260, P264, P273, P280, P302+P352, P319, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 123 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Benzene, 1-bromo-4-methoxy-Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11455Benzene, 1-bromo-4-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
GefahrenübersichtCauses ataxia, coma, and cough in inhalation lethal-concentration studies of miceCauses tetany in oral lethal-dose studies of mice and rats[RTECS] A skin irritantHarmful by ingestion[ECHA REACH Registrations] May cause irritation[Sigma-Aldrich MSDS] See Anisole.
Hazard Classes and CategoriesSkin Irrit. 2 (12.2%)
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 20 mg/m3
F8
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
Zollcode29093038
RTECS-Nr.BZ8501000
ToxizitätLD50 orl-mus: 2200 mg/kg GISAAA 44(12),19,79
GefahrensymboleXn
Sicherheitshinweise (S)23-24/25
Lagerklasse10 - Combustible liquids
GefahrenklasseAcute Tox. 4 OralSkin Irrit. 2

Anwendungen & Verwendung

Verwenden

4-Bromoanisole finds application as an intermediate in synthetic chemistry. It is used in the preparation of aryl 1,3-diketones and ethyl 4-methoxycinnamate. It is a used as a brominating reagent. Further, it is used in Suzuki coupling reaction with phenylboronic acid as well as in Heck reaction.

Herstellung & Synthese

synthetische

4-Bromoanisole is obtained by reacting p-bromophenol with dimethyl sulfate.