4-Brom-2,6-xylidin

4-Bromo-2,6-xylidine

HCID 90549CAS 24596-19-8

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Grundinformationen

Standard-SMILES: Cc1cc(Br)cc(C)c1N
InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N
Summenformel: C8H10BrN
Durchschnittliche Molmasse: 200,08 g/mol
Monoisotopische Masse: 198,99966142

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,6-xylidine
IUPAC: 4-bromo-2,6-dimethylaniline
Lokaler Name: 4-Brom-2,6-xylidin
Englischer Name: 4-Bromo-2,6-dimethylaniline
Summenformel: C8H10BrN
Molmasse: 200.08

Namen und Synonyme

24596-19-84-Bromo-2,6-xylidine4-bromo-2,6-dimethylbenzenamineEINECS 246-337-9DTXSID40179345NSC 227944RefChem:519161DTXCID70101836246-337-9InChI=1/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H4-Bromo-2,6-dimethylanilineBenzenamine, 4-bromo-2,6-dimethyl-

Weitere Namen anzeigen

6-diMethylanilineTIMTEC-BB SBB0024104-Bromo-2,6-dimethylLABOTEST-BB LT011432222,6-Xylidine, 4-bromo-4-broMo-2,6-deMethylaniline

2,6-Dimethyl-4-bromoaniline4-Bromo-2,6-dimethyl-phenylamine4-bromo-2,6-dimethylphenylamineMFCD000078264-bromo-2,6-dimethyl-aniline9W5K8J5F6BCS-W019870NSC-227944

Datenbank-Bezeichner

CAS: 24596-19-8
PubChem CID: 90549
DTXSID: DTXSID40179345
UNII: 9W5K8J5F6B
EC Number: 246-337-9
Nikkaji: J236.723H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-51 °C (lit.)
Siedepunkt: 120 °C · 120°C 0,2mm
Dichte: 1.4423 · 1.4423 (rough estimate)
Brechungsindex: 1.5748 · 1.5748 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform, Methanol
pka: 3.6 · 3.60±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear yellow to orange to amber
BRN: 1936300 · 1936300
InChI: InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N
SMILES: C1(N)=C(C)C=C(Br)C=C1C
CAS Datenbank: 24596 · 24596-19-8(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzenamine, 4-bromo-2,6-dimethyl-(24596-19-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (18.4%)

Sicherheitsdaten

F: 8-10-23
wgk: 3
ridadr: UN2811/6.1/III
hs_code: 29214990
risk_code: 38-43-36/37/38-20/21/22
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 36/37-36/37/39-26
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Bromo-2,6-dimethylaniline has been used in the preparation of:4-bromo-N-(1-(6-(1-isopropyl-1H-benzo[d]imidazol-2-yl)pyridin-2-yl)ethylidene)-2,6-dimethylbenzenamineN-(4-Bromo-2,6-dimethylphenyl)-5-trimethylammoniumsalicylaldimine chlorideethynyl-functionalized persistent perylene diimide-multichromophore