3-Chloro-5-(trifluoromethyl)pyridine (HCID 2736698)

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-5-(trifluoromethyl)pyridine
IUPAC: 3-chloro-5-(trifluoromethyl)pyridine
Englischer Name: 3-Chloro-5-(trifluoromethyl)pyridine
Summenformel: C6H3ClF3N
Molmasse: 181.54

Namen und Synonyme

3-chloro-5-(trifluoromethyl)pyridine85148-26-1DTXSID30371538RefChem:278382DTXCID00322572678-782-3MFCD00042227Pyridine, 3-chloro-5-(trifluoromethyl)-3-trifluoromethyl-5-chloropyridine3-Chloro-5-trifluoromethylpyridinePS-6449AC-23348

Weitere Namen anzeigen

3-Chloro-5-(trifluoromethyl)pyridine97%3-Chloro-5-(trifluoromethyl)pyridine 97%3-Chloro-5-(trifluoromethyl)pyridine >3-Chloro-5-(trifluoromethyl)pyridine ISO 9001：2015 REACH

EN300-114758AM20070105FT-0615431SCHEMBL394514SCHEMBL876019SCHEMBL939775orb3031415SCHEMBL1116564

Datenbank-Bezeichner

CAS: 85148-26-1
PubChem CID: 2736698
DTXSID: DTXSID30371538
EC Number: 678-782-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 131.5 °C · 131.5 °C
Siedepunkt: 144 °C · 144°C
Dichte: 1.416 · 1.416±0.06 g/cm3(Predicted)
Brechungsindex: 1.446 to · 1.4460 to 1.4500
Flammpunkt: 54 ℃ · 54℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 0.52 · 0.52±0.20(Predicted)
InChI: InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey: OMRCXTBFBBWTDL-UHFFFAOYSA-N
SMILES: C1=NC=C(C(F)(F)F)C=C1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933399990
risk_code: 20/21/22-36/37/38-25
hazard_code: Xi,Xn,T
hazard_note: Irritant
safety_code: 26-36/37/39-36-45
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Chloro-5-(trifluoromethyl)pyridine (3CTFP) is a pyridinium salt that is a byproduct of the production of chlorofluorocarbons. It is used to reduce the level of chlorine in water, and it can be used as a pesticide. 3CTFP is also an anion that can be reduced to form the chloride ion. 3CTFP reacts with nucleophiles such as ammonia or amines, which leads to nucleophilic substitution reactions. This reaction can be reversed by adding acid. The product from this reaction is ammonia gas.