Grundinformationen
- Standard-SMILES
Fc1cncc(F)c1- InChIKey
WRXAZPPGFLETFR-UHFFFAOYSA-N- Summenformel
- C5H3F2N
- Durchschnittliche Molmasse
- 115,08 g/mol
- Monoisotopische Masse
- 115,02335554
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Difluoropyridine
- IUPAC
- 3,5-difluoropyridine
- Englischer Name
- 3,5-Difluoropyridine
- Summenformel
- C5H3F2N
- Molmasse
- 115.08
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
71902-33-5- PubChem CID
- 642820
- DTXSID
DTXSID70349074- EC Number
- 624-636-9
- Nikkaji
- J966.797K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 68,8
Physikochemische Eigenschaften
- Siedepunkt
- 92 · 92-93°C
- Dichte
- 1.256 g/mL · 1.256 g/mL at 25 °C
- Brechungsindex
- 1.4437 · 1.4437
- Flammpunkt
- 9 °C · 9°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- clear liquid
- pka
- 0.39 · 0.39±0.20(Predicted)
- Farbe
- Colorless to Almost colorless
- BRN
- 7914363 · 7914363
- InChI
- InChI=1S/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3H
- InChIKey
- WRXAZPPGFLETFR-UHFFFAOYSA-N
- SMILES
- C1=NC=C(F)C=C1F
- CAS Datenbank
- 71902 · 71902-33-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- 1993
- hs_code
- 29333990
- risk_code
- 36/37/38-50-20/21/22-11
- hazard_code
- Xi,F,N,Xn
- hazard_note
- Highly Flammable/Irritant
- safety_code
- 26-36/37/39-61-36/37
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Darstellung
synthetischeSynthesis of 3,5-Difluoropyridine: A solution of 2,4,6-tribromo-3,5-difluoropyridine (11) (34.0 g, 97 mmol) in DCM (200 cm3) was washed with activated carbon and filtered. A palladium catalyst (3.4 g of a 5% Pd/C commercially available product) and triethylamine (45 cm3, 31.5 g, 312 mmol) were added to the filtrate and the mixture hydrogenated in a Parr apparatus at 4 Bar for 21 h. The mixture was filtered, water (200 cm3) added and extracted into DCM. Distillation of the DCM solution on Fischer-Spaltrohr apparatus gave 3,5-difluoropyridine (7.0 g, 61 mmol, 63%), b.p. 92.5 ·c (Found: C, 52.2; H, 3.0; N, 12.2. C5H3F2N2 requires C, 52.2; H, 3.0; N, 12.2%); IR spectrum no. 1; mass spectrum no. 1; nrnr spectrum no. 8.
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