5-Fluoro-2-methylpyridine

HCID 2762863CAS 31181-53-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1ccc(F)cn1
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
Summenformel: C6H6FN
Durchschnittliche Molmasse: 111,12 g/mol
Monoisotopische Masse: 111,04842736

Namen und Bezeichner

Bevorzugter Name: 5-Fluoro-2-methylpyridine
IUPAC: 5-fluoro-2-methylpyridine
Englischer Name: 5-Fluoro-2-methylpyridine
Summenformel: C6H6FN
Molmasse: 111.12

Namen und Synonyme

5-fluoro-2-methylpyridine31181-53-0DTXSID10376521RefChem:303169DTXCID20327549814-475-45-fluoro-2-picoline3-Fluoro-6-picolineMFCD030952715-fluoro-2-methyl-pyridine3-fluoro-6-methylpyridinePYRIDINE, 5-FLUORO-2-METHYL-

Weitere Namen anzeigen

3-Fluoro-6-picoline 98%2-methyl-5-fluoro-pyridine5-Fluoro-2-methylpyridine 98+%5-Fluoro-2-methylpyridine, 97%5-FLUORO-2-PICOLINE5-FLUORO-2-METHYLPYRIDINE

5-Fluoro -2-picolineSCHEMBL424656SCHEMBL754139SCHEMBL932697SCHEMBL1439318SCHEMBL16114306SCHEMBL22978495SCHEMBL29918724

Datenbank-Bezeichner

CAS: 31181-53-0
PubChem CID: 2762863
DTXSID: DTXSID10376521
EC Number: 814-475-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74

Physikochemische Eigenschaften

Siedepunkt: 135 · 135-136 C
Dichte: 1.077 g/ml · 1.077g/ml
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
pka: 3.53 · 3.53±0.10(Predicted)
Farbe: Clear, almost colourless
InChI: InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(F)C=C1
CAS Datenbank: 31181 · 31181-53-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.