4-Bromanisol

4-Bromoanisole

HCID 7730CAS 104-92-7
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Grundinformationen

Standard-SMILES
COc1ccc(Br)cc1
InChIKey
QJPJQTDYNZXKQF-UHFFFAOYSA-N
Summenformel
C7H7BrO
Durchschnittliche Molmasse
187,03 g/mol
Monoisotopische Masse
185,96802694

Überblick

4-bromoanisole is a monomethoxybenzene carrying a bromo substituent at position 4. It is a monomethoxybenzene and an organobromine compound.

Namen und Bezeichner

Bevorzugter Name
4-Bromoanisole
IUPAC
1-bromo-4-methoxybenzene
Lokaler Name
4-Bromanisol
Englischer Name
4-Bromoanisole
Summenformel
C7H7BrO
Molmasse
187.03

Namen und Synonyme

4-BROMOANISOLE1-Bromo-4-methoxybenzene104-92-7p-Bromoanisole4-MethoxybromobenzeneBenzene, 1-bromo-4-methoxy-Anisyl bromidep-Anisyl bromide4-Methoxyphenyl bromidep-Bromanisolep-Methoxyphenyl bromideAnisole, p-bromo-
Weitere Namen anzeigen
2-Bromoanisole,98%4-Bromoanisole,98%1-bromo-4-methoxy-benzen4-Bromoanisole,1-Bromo-4-methoxybenzenep-bromoanisolp-bromo-anisol
p-Methoxybromobenzene4-Methoxy-1-bromobenzenep-Bromophenyl methyl ether4-Bromoanisolpara-bromoanisole4-bromo-1-methoxybenzene4-anisyl bromidep-Bromomethoxybenzene

Datenbank-Bezeichner

CAS
104-92-7
PubChem CID
7730
DTXSID
DTXSID2059308
ChEBI
CHEBI:47257
UNII
U430F901J9
EC Number
203-252-1
Nikkaji
J5.038E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
9,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Anisoles
SpringerMaterials PropertiesBoiling point
LogP3.15
Physical DescriptionClear light yellow liquid; mp = 9-10 deg C; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
9 · 9-10 °C (lit.)
Siedepunkt
223 °C · 223 °C (lit.)
Dichte
1.494 g/mL · 1.494 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.564(lit.)
Flammpunkt
202 °F · 202 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.3% (4 of 123) of reports.

Warning

H315 (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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzene, 1-bromo-4-methoxy-

Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11455

Benzene, 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.

Hazards Summary · 1 Eintrag

Causes ataxia, coma, and cough in inhalation lethal-concentration studies of mice; Causes tetany in oral lethal-dose studies of mice and rats; [RTECS] A skin irritant; Harmful by ingestion; [ECHA REACH Registrations] May cause irritation; [Sigma-Aldrich MSDS] See Anisole.

Hazard Classes and CategoriesSkin Irrit. 2 (12.2%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 20 mg/m3

Sicherheitsdaten

F
8
wgk
2
tsca
TSCA listed
hs_code
29093038
RTECS-Nr.
BZ8501000
Toxizität
LD50 orl-mus: 2200 mg/kg GISAAA 44(12),19,79

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in closed process manufacturing; [ECHA REACH Registrations]
General Manufacturing InformationBenzene, 1-bromo-4-methoxy-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4-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.

Darstellung

synthetische4-Bromoanisole is obtained by reacting p-bromophenol with dimethyl sulfate.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
盐城市胜达化工有限公司0515-83072966 13016507129
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 4-bromoanisole is a monomethoxybenzene carrying a bromo substituent at position 4. It is a monomethoxybenzene and an organobromine compound.

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