4-Chloro-2,6-dimethylaniline
Grundinformationen
- CAS
24596-18-7- Standard-SMILES
Cc1cc(Cl)cc(C)c1N- InChIKey
JCLZLZKUISPXDC-UHFFFAOYSA-N- Summenformel
- C8H10ClN
- Durchschnittliche Molmasse
- 155,62 g/mol
- Monoisotopische Masse
- 155,050177
Namen und Bezeichner
- Bevorzugter Name
- 4-Chloro-2,6-dimethylaniline
- IUPAC
- 4-chloro-2,6-dimethylaniline
- Englischer Name
- 4-CHLORO-2,6-DIMETHYLANILINE
- Summenformel
- C8H10ClN
- Molmasse
- 155.62
Namen und Synonyme
4-chloro-2,6-dimethylaniline24596-18-7DTXSID00408047RefChem:520870DTXCID80358899678-859-14-Chloro-2,6-dimethyl-phenylamineBenzenamine, 4-chloro-2,6-dimethyl-MFCD010765764-chloro-2,6-dimethylbenzenamine4-CHLORO-2,6-XYLIDINE4-Chloro-2,6-dimethyl-aniline
Weitere Namen anzeigen
4-chloro-2,6-dimethylbenzeneamine4-chloro-2,6-dimethylaniline24596-18-74-Chloro-2,6-dimethylaniline (Impurity)4-Chloro-2,6-xylidine, 2-Amino-5-chloro-m-xylene
2,6-DIMETHYL-4-CHLOROANILINE2,6-Xylidine, 4-chloro-4-Chlor-2,6-dimethylanilinSCHEMBL2039466JR22BF6Q64-chloro-2,6-dimethylphenylamineJCLZLZKUISPXDC-UHFFFAOYSA-N3,5-Dimethyl-4-aminochlorobenzene
Datenbank-Bezeichner
- CAS
24596-18-7- PubChem CID
- 5073362
- DTXSID
DTXSID00408047- UNII
- 6JR22BF6Q6
- EC Number
- 678-859-1
- Nikkaji
- J2.406.502B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 26 Ų
- 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
- 45 · 45-50°C
- Siedepunkt
- 260.6 · 260.6±35.0 °C(Predicted)
- Dichte
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- InChI=1S/C8H10ClN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
- InChIKey
- JCLZLZKUISPXDC-UHFFFAOYSA-N
- SMILES
- C1(N)=C(C)C=C(Cl)C=C1C
- CAS Datenbank
- 24596 · 24596-18-7(CAS DataBase Reference)
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
Danger
H302 (94.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 34 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (94.1%)
Sicherheitsdaten
- ridadr
- 2811
- hs_code
- 2921420090
- risk_code
- 23/24/25-36/37/38
- safety_code
- 23-36/37/39-45
Chemie und Industrie
Anwendungen
Verwenden4-chloro-2,6-dimethylaniline was chosen as a substrate of medium in palladium-catalyzed cyanations of aryl chlorides.
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