4-Fluorobenzylamine (HCID 67326)

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 4-Fluorobenzylamine
IUPAC: (4-fluorophenyl)methanamine
Lokaler Name: 4-Fluorbenzylamin
Englischer Name: 4-Fluorobenzylamine
Summenformel: C7H8FN
Molmasse: 125.14

Namen und Synonyme

4-Fluorobenzylamine140-75-0p-FluorobenzylamineBenzenemethanamine, 4-fluoro-NSC-1582694-(18F)-fluorobenzylamineP5W29VUB78DTXSID7059698(4-fluorophenyl)methanaminiumRefChem:523402DTXCID2034544205-430-4

Weitere Namen anzeigen

NSC 158269AURORA KA-7685P-flubenzylamineAKOS BBS-00003618RARECHEM AL BW 00264-fluro benzylamine

(4-Fluorophenyl)methanamineBenzylamine, p-fluoro-MFCD000081201-(4-fluorophenyl)methanamine4-fluorobenzenemethanamine4-fluorobenzyl amine4-Fluoro-benzylamineCHEMBL12392

Datenbank-Bezeichner

CAS: 140-75-0
PubChem CID: 67326
DTXSID: DTXSID7059698
ChEMBL: CHEMBL12392
UNII: P5W29VUB78
EC Number: 205-430-4
Nikkaji: J184.430J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 77

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionColorless or pale yellow liquid with an amine-like odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 183 °C · 183 °C
Siedepunkt: 183 °C · 183 °C (lit.)
Dichte: 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.512(lit.)
Flammpunkt: 152 °F · 152 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 9.01 · 9.01±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 1.101 · 1.101.095
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Soluble in water.
BRN: 636501 · 636501
InChI: 1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKey: IIFVWLUQBAIPMJ-UHFFFAOYSA-N
SMILES: NCc1ccc(F)cc1
CAS Datenbank: 140 · 140-75-0(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzenemethanamine, 4-fluoro-(140-75-0)
EPA chemische Informationen: 4 · Benzenemethanamine, 4-fluoro- (140-75-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 15-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17947

4-Fluorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See 4-Chlorobenzylamine.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 10-34
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29214980
risk_code: 34-20/21/22
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45-36/39
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Met. Corr. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenemethanamine, 4-fluoro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden4-Fluorobenzylamine is used as a potassium channel blocking agent. It is used in the synthesis of new tris-iron(III) chelates of 3-hydroxy-4-pyridinone ligands. It reacts with the α- and γ-carboxyl groups of folic acid to yield 18F-labeled folate2. It is an important building block for the synthesis of 18F-labeled compounds.