4-Fluor-m-toluidin

4-Fluoro-m-toluidine

HCID 67981CAS 452-69-7

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Grundinformationen

Standard-SMILES: Cc1cc(N)ccc1F
InChIKey: NYMDPDNETOLVBS-UHFFFAOYSA-N
Summenformel: C7H8FN
Durchschnittliche Molmasse: 125,14 g/mol
Monoisotopische Masse: 125,06407742

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-m-toluidine
IUPAC: 4-fluoro-3-methylaniline
Lokaler Name: 4-Fluor-m-toluidin
Englischer Name: 2-Fluoro-5-aminotoluene
Summenformel: C7H8FN
Molmasse: 125.14

Namen und Synonyme

4-Fluoro-m-toluidineEINECS 207-207-7DTXSID30196425NSC 88319RefChem:523311DTXCID40118916207-207-74-Fluoro-3-methylaniline452-69-75-Amino-2-fluorotoluene4-fluoro-3-methylbenzenamine2-Fluoro-5-aminotoluene

Weitere Namen anzeigen

Fluoromethylaniline64-Fluoro-5-Methylaniline3-METHYL-4-FLUOROANILINE4-Fluoro-3-methylaniline98%4-Fluoro-3-methylaniline>4-Fluoro-3-methylaniline 98%

Benzenamine, 4-fluoro-3-methyl-MFCD000252944-fluoro-3-methyl-aniline4-fluoro-3-methylphenylamineSHJ88XWX75NSC-88319NSC88319m-Toluidine, 4-fluoro-

Datenbank-Bezeichner

CAS: 452-69-7
PubChem CID: 67981
DTXSID: DTXSID30196425
UNII: SHJ88XWX75
EC Number: 207-207-7
Nikkaji: J149.711A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Schmelzpunkt: 35 °C · 35 °C
Siedepunkt: 85 · 85-86°C 9mm
Dichte: 1 · 1,12 g/cm3
Brechungsindex: 1.537 · 1.5370
Flammpunkt: 95 °C · 95°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 4.78 · 4.78±0.10(Predicted)
Farbe: White to Gray
BRN: 2935561 · 2935561
InChI: InChI=1S/C7H8FN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
InChIKey: NYMDPDNETOLVBS-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(C)=C1
CAS Datenbank: 452 · 452-69-7(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Fluoro-3-methylaniline(452-69-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (17%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (12.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.