5-Fluor-o-toluidin

5-Fluoro-o-toluidine

HCID 67774CAS 367-29-3

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Grundinformationen

Standard-SMILES: Cc1ccc(F)cc1N
InChIKey: JLCDTNNLXUMYFQ-UHFFFAOYSA-N
Summenformel: C7H8FN
Durchschnittliche Molmasse: 125,14 g/mol
Monoisotopische Masse: 125,06407748

Namen und Bezeichner

Bevorzugter Name: 5-Fluoro-o-toluidine
IUPAC: 5-fluoro-2-methylaniline
Lokaler Name: 5-Fluor-o-toluidin
Englischer Name: 5-Fluoro-2-methylaniline
Summenformel: C7H8FN
Molmasse: 125.14

Namen und Synonyme

5-Fluoro-o-toluidineEINECS 206-689-6DTXSID10190143NSC 60730RefChem:535966DTXCID20112634206-689-65-Fluoro-2-methylaniline367-29-32-Amino-4-fluorotoluene3-fluoro-6-methylanilineBenzenamine, 5-fluoro-2-methyl-

Weitere Namen anzeigen

2-METHYL-5-FLUOROANILINE2-Amino-4-fluorotoluene~5-Fluoro-o-toluidineTIMTEC-BB SBB0042665-Fluoro-2-methylani5-Fluoro-2-toluidineFluoromethylaniline74-Fluoro-2-Aminotoluene2-Ankyl-4-fluorotoluene

5-Fluoro-2-methyl-anilineMFCD000077645-fluoro-2-methylphenylamineNSC-607305-Fluoro-2-methyl-phenylamine5-FluorotoluidineNSC60730VHR6M7NXK6

Datenbank-Bezeichner

CAS: 367-29-3
PubChem CID: 67774
DTXSID: DTXSID10190143
UNII: VHR6M7NXK6
EC Number: 206-689-6
Nikkaji: J85.091H

Eigenschaften

Berechnete Struktureigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-40 °C (lit.)
Siedepunkt: 98 · 98-100°C 15mm
Dichte: 1.13 g/cm3 · 1.13 g/cm3 (20℃)
Brechungsindex: 1.538 · 1.538
Flammpunkt: 194 °F · 194 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: Crystalline Solid or Liquid
pka: 3.44 · 3.44±0.10(Predicted)
Farbe: Purple to brown
Wasserlöslichkeit: insoluble
BRN: 2637584 · 2637584
InChI: InChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
InChIKey: JLCDTNNLXUMYFQ-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=CC=C1C
CAS Datenbank: 367 · 367-29-3(CAS DataBase Reference)
NIST chemische Informationen: 5 · 5-Fluoro-2-methylaniline(367-29-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information5-FLUORO-2-METHYLANILINE: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (98%)