4-Fluor-N-methylanilin

4-Fluoro-N-methylaniline

HCID 68024CAS 459-59-6

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Grundinformationen

Standard-SMILES: CNc1ccc(F)cc1
InChIKey: VLWRKVBQUANIGI-UHFFFAOYSA-N
Summenformel: C7H8FN
Durchschnittliche Molmasse: 125,14 g/mol
Monoisotopische Masse: 125,06407748

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-N-methylaniline
IUPAC: 4-fluoro-N-methylaniline
Lokaler Name: 4-Fluor-N-methylanilin
Englischer Name: 4-Fluoro-N-methylaniline
Summenformel: C7H8FN
Molmasse: 125.14

Namen und Synonyme

4-Fluoro-N-methylaniline459-59-6Benzenamine, 4-fluoro-N-methyl-p-fluoro-N-methylaniline88F75YIS0FDTXSID3022033RefChem:858067DTXCID302033207-294-1MFCD00017942N-methyl-4-fluoroaniline4-fluoro-N-methylbenzenamine

Weitere Namen anzeigen

4-FLUORO-N-TOLUIDINE4-FLUORO-N-METHYLANILINE 98%4-Fluoro-N-methylaniline ,98%

n-(4-fluorophenyl)-n-methylamine4-fluoro-N-methyl-anilinen-methyl-p-fluoroaniline4-fluoro-N-methyl aniline(4-fluorophenyl)-methylamine(4-fluoro)-N-methyl-anilineSCHEMBL101703SCHEMBL360550

Datenbank-Bezeichner

CAS: 459-59-6
PubChem CID: 68024
DTXSID: DTXSID3022033
UNII: 88F75YIS0F
EC Number: 207-294-1
Nikkaji: J196.176D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 77

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesMolecular structure

Physikochemische Eigenschaften

Siedepunkt: 79 °C/11 · 79 °C/11 mmHg (lit.)
Dichte: 1.04 g/mL · 1.040 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5320(lit.)
Flammpunkt: 168 °F · 168 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 4.8 · 4.80±0.12(Predicted)
InChI: 1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey: VLWRKVBQUANIGI-UHFFFAOYSA-N
SMILES: CNc1ccc(F)cc1
EPA chemische Informationen: 4 · Benzenamine, 4-fluoro-N-methyl- (459-59-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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. 3 (97.6%)

Sicherheitsdaten

wgk: 2
ridadr: UN 2810 6.1/PG 3
hs_code: 29214300
risk_code: 22-37/38-41-43-52/53
hazard_code: Xn,Xi
safety_code: 26-36/37/39
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3