3-chloro-N-methylaniline
Grundinformationen
- CAS
7006-52-2- Standard-SMILES
CNc1cccc(Cl)c1- InChIKey
WFGYSQDPURFIFL-UHFFFAOYSA-N- Summenformel
- C7H8ClN
- Durchschnittliche Molmasse
- 141,6 g/mol
- Monoisotopische Masse
- 141,03452694
Namen und Bezeichner
- Bevorzugter Name
- 3-chloro-N-methylaniline
- IUPAC
- 3-chloro-N-methylaniline
- Englischer Name
- 3-Chloro-N-methylaniline
- Summenformel
- C7H8ClN
- Molmasse
- 141.6
Namen und Synonyme
3-chloro-N-methylanilineBenzenamine, 3-chloro-N-methyl-DTXSID00220342RefChem:278566DTXCID00142833625-958-2WFGYSQDPURFIFL-UHFFFAOYSA-N7006-52-2N-Methyl-3-chloroaniline3-chloro-N-methylbenzenamineMFCD00052014N-methyl-m-chloroaniline
Weitere Namen anzeigen
N-methyl-3-chloroailine3-Chloro-1-Methylaniline3-Chloro-methylaniline, 97%3-Chloro-N-methylaniline,97%N-Methyl-3-chlorobenzenamineN-Methyl-3-chloroaniline 97%3-Chloro-N-methylaniline >
3-chloro-N-methyl-aniline3-chloro-N-methyl anilineSCHEMBL103824SY048376CS-0108516(3-Chloro-phenyl)-methyl-aminen1-methyl-3-chloroanilinebenzenamin
Datenbank-Bezeichner
- CAS
7006-52-2- PubChem CID
- 138900
- DTXSID
DTXSID00220342- EC Number
- 625-958-2
- Nikkaji
- J364.717J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 85
Physikochemische Eigenschaften
- Siedepunkt
- 243 · 243-244 °C(lit.)
- Dichte
- 1.156 g/mL · 1.156 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.5840(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- clear liquid
- pka
- 4.05 · 4.05±0.25(Predicted)
- Farbe
- Light yellow to Amber to Dark green
- BRN
- 2802319 · 2802319
- InChI
- 1S/C7H8ClN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
- InChIKey
- WFGYSQDPURFIFL-UHFFFAOYSA-N
- SMILES
- CNc1cccc(Cl)c1
- CAS Datenbank
- 7006 · 7006-52-2(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
Warning
H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (15.2%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29214200
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 12 - Non Combustible Liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenN-Methyl-3-chloroaniline may be used as a starting material in the preparation of:2N-(2-bromoethyl)-N-methyl-3-chloroaniline2-[2-(N-methyl-3-chloroanilino)ethyl]-1,3-isoindolinedioneN1-(3-chlorophenyl)-N1-methyl-1,2-ethanediamine dihydrochloride
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