4'-Bromacetanilid

4'-Bromoacetanilide

HCID 7683CAS 103-88-8

Grundinformationen

Standard-SMILES
CC(=O)Nc1ccc(Br)cc1
InChIKey
MSLICLMCQYQNPK-UHFFFAOYSA-N
Summenformel
C8H8BrNO
Durchschnittliche Molmasse
214,06 g/mol
Monoisotopische Masse
212,97892598

Namen und Bezeichner

Bevorzugter Name
4'-Bromoacetanilide
IUPAC
N-(4-bromophenyl)acetamide
Lokaler Name
4'-Bromacetanilid
Englischer Name
4'-Bromoacetanilide
Summenformel
C8H8BrNO
Molmasse
214.06

Namen und Synonyme

4'-Bromoacetanilide103-88-84-BROMOACETANILIDEN-(4-Bromophenyl)acetamidep-BromoacetanilideBromoanilideAcetamide, N-(4-bromophenyl)-BromoantifebrinAntisepsinAsepsinN-Acetyl-4-bromoanilinep-Bromo-N-acetanilide
Weitere Namen anzeigen
Bromoacetanilide4-BROMOACETOANILIDE4-Bromoacetanilide, 98% PSusafdo-40Bromanilide
1-Bromo-4-acetamidobenzeneAcetanilide, p-bromo-USAF DO-40Acetanilide, 4'-bromo-N-(4-Bromo-phenyl)-acetamideN-Acetyl-p-bromoanilineNSC 105442N-(p-Bromophenyl)acetamide

Datenbank-Bezeichner

CAS
103-88-8
PubChem CID
7683
DTXSID
DTXSID6059283
ChEMBL
CHEMBL59019
UNII
4KB44F25A3
EC Number
203-154-9
Nikkaji
J37.694I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
29,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.14

Physikochemische Eigenschaften

Schmelzpunkt
165 · 165-169 °C(lit.)
Siedepunkt
353.4 °C · 353.4°C (estimate)
Dichte
1.72 · 1.72
Brechungsindex
1.612 · 1.6120 (estimate)
storage temp.
30 °C · Store below +30°C.
Löslichkeit
alcohol: moderately soluble

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.9%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Acetamide, N-(4-bromophenyl)-

Acetamide, N-(4-bromophenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
29242998
RTECS-Nr.
AD9625000
risk_code
36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetamide, N-(4-bromophenyl)-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4'-Bromoacetanilide is used as an internal standard for phenylurea and the respective metabolic products in oysters. It has also been used as a reagent in the production of a new ligand to form a coordination compex between gadolinium(III) and T=titanium(IV) oxide. It was used in the synthesis of new ligand for anchoring Gd(III) chelates onto TiO2 surface.

Darstellung · 1 Eintrag

synthetischePreparation of 4'-Bromoacetanilide from Acetanilide. Principle: Aromatic compounds can be conveniently brominated by the use of brominating agent, which is normally a solution of bromine in acetic acid. Bromination of activated aromatic compounds usually give 2, 4, 6-tribromo derivatives while moderately activating group like anilide give preferably the para bromo product. Reaction: Procedure: Dissolve 0.5 g acetanilide in 0.6 ml glacial acetic acid and add 2.5 ml bromine solution in acetic acid (25% w/v). Shake the mixture for 1 h. After 1 h, pour the mixture on to crushed ice (20 g) with stirring. Filter the separated product and wash with cold water. Dry the product, record the practical yield and re-crystallize it. Re-crystallization: Dissolve the crude product in minimum amount of ethyl alcohol in a beaker by heating on a water bath. Filter the hot solution and cool the filtrate. The crystals of the product separate out. Filter, dry and record the melting point and TLC (using toluene as a solvent).

Anbieter50 Anbieter

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北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
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