2-Fluoro-3-methylaniline

HCID 22734623

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Grundinformationen

CAS: 1978-33-2
Standard-SMILES: Cc1cccc(N)c1F
InChIKey: WFZUBZAEFXETBF-UHFFFAOYSA-N
Summenformel: C7H8FN
Durchschnittliche Molmasse: 125,14 g/mol
Monoisotopische Masse: 125,06407742

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-3-methylaniline
IUPAC: 2-fluoro-3-methylaniline
Englischer Name: 2-Fluoro-3-methylaniline
Summenformel: C7H8FN
Molmasse: 125.14

Namen und Synonyme

2-Fluoro-3-methylaniline1978-33-2DTXSID00627933RefChem:260875DTXCID30578686675-536-73-amino-2-fluorotoluene2-Fluoro-m-toluidine2-fluoro-3-methyl-aniline2-fluoro-3-methylbenzenamineMFCD06410915BENZENAMINE, 2-FLUORO-3-METHYL-

Weitere Namen anzeigen

Benzenamin2-Fluoro-3-methylaniline>2-FLUORO-3-METHYLBENZENAMINE3-AMINO-2-FLUOROTOLUENE, 98+%2-Fluoro-m-toluidine 3-Amino-2-fluorotoluene3-Amino-2-fluorotoluene, 2-Fluoro-m-toluidine

2-fluoro-3-methylphenylamineSCHEMBL4065132-Fluoro-3-methyl-phenylamineSCHEMBL1550874SCHEMBL17023613SBB069825AKOS005145718AB25121

Datenbank-Bezeichner

CAS: 1978-33-2
PubChem CID: 22734623
DTXSID: DTXSID00627933
EC Number: 675-536-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
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

Siedepunkt: 87 °C · 87 °C / 12mmHg
Dichte: 1.11 · 1.11
Brechungsindex: 1.536 · 1.5360
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 3.33 · 3.33±0.10(Predicted)
Aggregatzustand: liquid
Farbe: clear, very dark red
InChI: InChI=1S/C7H8FN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
InChIKey: WFZUBZAEFXETBF-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(C)=C1F
CAS Datenbank: 1978 · 1978-33-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H227 (25%): Combustible liquid [Warning Flammable liquids]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 4 (25%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)