2-Chloro-6-methylaniline (HCID 6897)

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-6-methylaniline
IUPAC: 2-chloro-6-methylaniline
Lokaler Name: 6-Chlor-o-toluidin
Englischer Name: 2-Chloro-6-methylaniline
Summenformel: C7H8ClN
Molmasse: 141.6

Namen und Synonyme

2-Chloro-6-methylaniline6-Chloro-o-toluidine2-Amino-3-chlorotoluene6-CHLORO-2-METHYLANILINEBenzenamine, 2-chloro-6-methyl-2-Methyl-6-chloroaniline3-Chloro-2-aminotoluene6-Chloro-2-toluidine2-CHLORO-6-METHYL-ANILINEo-Toluidine, 6-chloro-6-Chloro-o-toluidine (NH2=1)EINECS 201-759-2

Weitere Namen anzeigen

6COToro-6-methyLTIMTEC-BB SBB0041536-chloro-o-toluidin2-Chloro-6-methylani6-ChIoro-o-toluidine

UNII-76F11RQ7TBNSC 60121BRN 0774624Benzenamine, 6-chloro-2-methyl-NSC-601212-chloro-6-methylbenzenamine(2-Chloro-6-methylphenyl)amineDTXSID8058956

Datenbank-Bezeichner

CAS: 87-63-8
PubChem CID: 6897
DTXSID: DTXSID8058956
UNII: 76F11RQ7TB
EC Number: 201-759-2
Nikkaji: J3.539D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: 10 · 10-12 °C(lit.)
Siedepunkt: 215 °C · 215 °C(lit.)
Dichte: 1.152 g/mL · 1.152 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.576(lit.)
Flammpunkt: 210 °F · 210 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Oil
pka: 2.51 · 2.51±0.10(Predicted)
Farbe: Clear Colourless to Pale Purple
Wasserlöslichkeit: Immiscible
BRN: 774624 · 774624
InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N
CAS Datenbank: 87 · 87-63-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzenamine, 2-chloro-6-methyl-(87-63-8)
EPA chemische Informationen: 6 · 6-Chloro-2-methylaniline (87-63-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

S - indicates a substance that is identified in a final Significant New Use Rule.

Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21012

Hazard Classes and CategoriesAcute Tox. 3 (16%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3429 6.1/PG 3
hs_code: 29214300
RTECS-Nr.: XU5100000
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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 2-chloro-6-methyl-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung2-chloro-6-methylaniline is an important organic synthesis intermediate widely applied to chemical pharmacy, pesticides, and organic synthesis. In the aspects of chemical pharmacy and pesticides, 2-chloro-6-methylaniline can be used as a reaction starting material to participate in the preparation processes of tyrosine kinase inhibitors dasatinib, indazole derivatives with anti-breast cancer activity, 2-methyl-6-chlorophenyl sulfonylurea derivatives with bacteriostatic activity and the like; in the aspect of organic synthesis, 2-chloro-6-methylaniline can introduce chemical groups such as hydrazine, nitro, cyano, halogen (F, Cl, Br), and the like into an aromatic ring through diazotization reaction, thereby participating in wide chemical reactions.

Verwenden2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.