3-Fluoro-1-propanol

HCID 68042CAS 462-43-1

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Grundinformationen

Standard-SMILES: OCCCF
InChIKey: NLRJUIXKEMCEOH-UHFFFAOYSA-N
Summenformel: C3H7FO
Durchschnittliche Molmasse: 78,09 g/mol
Monoisotopische Masse: 78,04809306

Namen und Bezeichner

Bevorzugter Name: 3-Fluoro-1-propanol
IUPAC: 3-fluoropropan-1-ol
Englischer Name: 3-FLUOROPROPAN-1-OL
Summenformel: C3H7FO
Molmasse: 78.09

Namen und Synonyme

3-Fluoro-1-propanol1-Propanol, 3-fluoro-RefChem:501578671-654-83-fluoropropan-1-ol462-43-13-FluoropropanolPropanol, 3-fluoro-omega-Fluoropropanol3-fluoro-propan-1-ol3-Hydroxypropyl fluorideTL 1510

Weitere Namen anzeigen

tl15103-fluoro-propano3-hydroxypropylfluoride1-Fluoro-3-hydroxypropane1-Propanol, 3-fluoro- (6CI,8CI,9CI)

MFCD00039548BRN 17310764-01-00-01437 (Beilstein Handbook Reference)3-fluoro-propanol3-Fluoro-1-propanol; 3-Fluoropropanol; 3-Hydroxypropyl Fluoride3-fluorpropane-1-ol3-fluoropropane-1-olSCHEMBL25352

Datenbank-Bezeichner

CAS: 462-43-1
PubChem CID: 68042
DTXSID: DTXSID90196764
ChEMBL: CHEMBL4450750
EC Number: 671-654-8
Nikkaji: J50.984A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 5
Formalladung: 0
Komplexität: 16,4

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling

LogP-0.28

Physikochemische Eigenschaften

Siedepunkt: 127.5 °C · 127.5 °C
Dichte: 1.039 · 1.039
Brechungsindex: 1.3771 · 1.3771
Flammpunkt: 20 ℃ · 20℃
storage temp.: Refrigerator
Löslichkeit: Acetone, Methanol
Aggregatzustand: Oil
pka: 14.69 · 14.69±0.10(Predicted)
Farbe: Colourless
Wichte: 1.039 · 1.0390
InChI: InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2
InChIKey: NLRJUIXKEMCEOH-UHFFFAOYSA-N
SMILES: C(O)CCF
CAS Datenbank: 462 · 462-43-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (60%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (60%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 1987
hs_code: 29051990
risk_code: 10-52-41-37/38-25-36/37/38
hazard_code: F,T
safety_code: 16-36-45-39-26-36/37/39-22
hazard_class: FLAMMABLE
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Fluoropropan-1-ol is used as a reagent to synthesize fluorinated amino acids (e.g. DL-erythro-4-Fluoroglutamine [F591630]). 3-Fluoropropan-1-ol is also used as a reagent to synthesize labelled N-desmethyl-loperamide analogues, compounds that have potential use as imaging radiotracers.