Grundinformationen
- CAS
2052-06-4- Standard-SMILES
CCN(CC)c1ccc(Br)cc1- InChIKey
NGYMZFJVHHKJQR-UHFFFAOYSA-N- Summenformel
- C10H14BrN
- Durchschnittliche Molmasse
- 228,13 g/mol
- Monoisotopische Masse
- 227,03096155
Namen und Bezeichner
- Bevorzugter Name
- Benzenamine, 4-bromo-N,N-diethyl-
- IUPAC
- 4-bromo-N,N-diethylaniline
- Lokaler Name
- 4-Brom-N,N-diethylanilin
- Englischer Name
- 4-BROMO-N,N-DIETHYLANILINE
- Summenformel
- C10H14BrN
- Molmasse
- 228.13
Namen und Synonyme
4-Bromo-N,N-diethylanilineBenzenamine, 4-bromo-N,N-diethyl-P-BROMO-N,N-DIETHYLANILINEAniline, p-bromo-N,N-diethyl-p-N,Nddiethylaniline4-bromo-n,n-diethylbenzenamineNSC 8071EINECS 218-140-8N,NDiethylpbromoanilinepBromoN,NdiethylanilineRefChem:561877Aniline, pbromoN,Ndiethyl
Weitere Namen anzeigen
N,N-Diethyl-4-bromoaniline4-(Diethylamino)bromobenzeneN-(4-Bromophenyl)diethylamine(4-bromophenyl)-diethyl-aminebromo-N,N-diethylbenzeneamine
Benzenamine, 4bromoN,NdiethylAniline, pbromoN,Ndiethyl (8CI)Aniline, p-bromo-N,N-diethyl-(8CI)218-140-82052-06-4MFCD00013530N,N-Diethyl-p-bromoanilineH93Z8M7DQW
Datenbank-Bezeichner
- CAS
2052-06-4、63460-05-9- PubChem CID
- 16328
- DTXSID
DTXSID3062152- UNII
- H93Z8M7DQW
- EC Number
- 218-140-8
- Nikkaji
- J95.602C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 3,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 115
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionSolid; mp = 32-33 deg C; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 32 · 32-33 °C (lit.)
- Siedepunkt
- 269 · 269-271°C
- Dichte
- 1.291 · 1.291
- Brechungsindex
- 1.587 · 1.5870 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Aggregatzustand
- powder to lump
- pka
- 5.82 · 5.82±0.32(Predicted)
- Farbe
- White to Light yellow
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 2803424 · 2803424
- InChI
- 1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
- InChIKey
- NGYMZFJVHHKJQR-UHFFFAOYSA-N
- SMILES
- CCN(CC)c1ccc(Br)cc1
- CAS Datenbank
- 2052 · 2052-06-4(CAS DataBase Reference)
- EPA chemische Informationen
- N,N-Diethyl-p-bromoaniline (2052-06-4)
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
H315 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 4-Bromo-N,N-dimethylaniline.
Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)
Toxikologische Informationen
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2921.49.5000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenamine, 4-bromo-N,N-diethyl-: INACTIVE
Anwendungen
VerwendenIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.
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