4-Brom-N,N-dimethylanilin
4-bromo-N,N-dimethylaniline
Grundinformationen
- CAS
586-77-6- Standard-SMILES
CN(C)c1ccc(Br)cc1- InChIKey
XYZWMVYYUIMRIZ-UHFFFAOYSA-N- Summenformel
- C8H10BrN
- Durchschnittliche Molmasse
- 200,08 g/mol
- Monoisotopische Masse
- 198,99966
Namen und Bezeichner
- Bevorzugter Name
- 4-bromo-N,N-dimethylaniline
- IUPAC
- 4-bromo-N,N-dimethylaniline
- Lokaler Name
- 4-Brom-N,N-dimethylanilin
- Englischer Name
- 4-Bromo-N,N-dimethylaniline
- Summenformel
- C8H10BrN
- Molmasse
- 200.08
Namen und Synonyme
4-Bromo-N,N-dimethylaniline586-77-6p-Bromo-N,N-dimethylaniline4-DimethylaminobromobenzeneBenzenamine, 4-bromo-N,N-dimethyl-N,N-Dimethyl-4-bromoanilinep-Dimethylaminobromobenzene1-Bromo-4-(dimethylamino)benzenep-(Dimethylamino)phenyl bromidep-Bromo(dimethylamino)benzeneANILINE, 4-BROMO-N,N-DIMETHYL-p-N,N-Dimethylaminobromobenzene
Weitere Namen anzeigen
N-diMethylanilinep-Br-DMA4-BroMo-N4-(Dimethylami4-Bromo-N,N-dimethylBROMODIMETHYLANILINEUlipristal Impurity 144-bromo-dimethylanilineN, N-diMethyl-broMoaniline
4-(Dimethylamino)phenyl bromideAniline, p-bromo-N,N-dimethyl-NSC 8056EINECS 209-582-2N,NDimethylpbromoanilinepBromoN,NdimethylanilineN,NDimethyl4bromoanilinepDimethylaminobromobenzene
Datenbank-Bezeichner
- CAS
586-77-6- PubChem CID
- 11465
- DTXSID
DTXSID2060414- ChEMBL
CHEMBL3098160- UNII
- K49ZS2E9KX
- EC Number
- 209-582-2
- Nikkaji
- J55.361A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 3,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 95,4
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 52 · 52-54 °C (lit.)
- Siedepunkt
- 264 °C · 264 °C (lit.)
- Dichte
- 1.322 · 1.3220
- Brechungsindex
- 1.5748 · 1.5748 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Crystalline Solid
- pka
- 4.23 · 4.23(at 25℃)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: 4-bromo-N,N-dimethylaniline (EC: 209-582-2)
Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 4-Chloroaniline and 4-Bromoaniline.
Hazard Classes and CategoriesAcute Tox. 4 (98.4%)
Toxikologische Informationen
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenamine, 4-bromo-N,N-dimethyl-: ACTIVE
Anwendungen
Verwenden4-Bromo-N,N-dimethylaniline is used as an internal standard in the determination of iodine present as iodide (as in pharmaceuticals), iodate (as in iodized table salt) and covalently bound to organic compounds (as in milk and vegetables).
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