Grundinformationen
- Standard-SMILES
CNCc1cccc(F)c1- InChIKey
ZXWCKKSSCIFVBT-UHFFFAOYSA-N- Summenformel
- C8H10FN
- Durchschnittliche Molmasse
- 139,17 g/mol
- Monoisotopische Masse
- 139,07972754
Namen und Bezeichner
- Bevorzugter Name
- Benzenemethanamine, 3-fluoro-N-methyl-
- IUPAC
- 1-(3-fluorophenyl)-N-methylmethanamine
- Englischer Name
- (3-Fluorobenzyl)methylamine
- Summenformel
- C8H10FN
- Molmasse
- 139.17
Namen und Synonyme
90389-84-73-Fluoro-N-methylbenzylamineBenzenemethanamine, 3-fluoro-N-methyl-DTXSID50238114RefChem:563271DTXCID70160605627-017-11-(3-fluorophenyl)-N-methylmethanamineN-Methyl-3-fluorobenzylamine(3-Fluorobenzyl)methylamineMFCD04623547[(3-fluorophenyl)methyl](methyl)amine
Weitere Namen anzeigen
Aids011076Aids-011076(3-FLUOROBENZYL)METH(3-Fluorobenzyl)methylamine95%3-Fluoro-N-methylbenzylamine>3-Fluoro-N-methylbenzylamine ,97%
1-(3-fluorophenyl)-N-methyl-methanamine(3-FLUOROPHENYL)-N-METHYLMETHANAMINE3-fluorobenzyl-methylamine(r)-p-fluoromethylbenzylamineSCHEMBL159689F2169-1245SCHEMBL2997176SCHEMBL4573287
Datenbank-Bezeichner
- CAS
90389-84-7- PubChem CID
- 457577
- DTXSID
DTXSID50238114- ChEMBL
CHEMBL1178113- EC Number
- 627-017-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 95,3
Physikochemische Eigenschaften
- Siedepunkt
- 183 · 183-184 °C (lit.)
- Dichte
- 1.015 g/mL · 1.015 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.4990(lit.)
- Flammpunkt
- 152 °F · 152 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- Liquid
- pka
- 9.39 · 9.39±0.10(Predicted)
- Farbe
- Colorless to tan
- InChI
- 1S/C8H10FN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
- InChIKey
- ZXWCKKSSCIFVBT-UHFFFAOYSA-N
- SMILES
- CNCc1cccc(F)c1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 2735 8/PG III
- hs_code
- 29214990
- risk_code
- 22-41
- hazard_code
- Xn
- safety_code
- 26-36/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
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