Pyridine, 2,3,5-trichloro-

HCID 27666CAS 16063-70-0

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Grundinformationen

Standard-SMILES: Clc1cnc(Cl)c(Cl)c1
InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N
Summenformel: C5H2Cl3N
Durchschnittliche Molmasse: 182,43 g/mol
Monoisotopische Masse: 180,9252821

Namen und Bezeichner

Bevorzugter Name: Pyridine, 2,3,5-trichloro-
IUPAC: 2,3,5-trichloropyridine
Englischer Name: 2,3,5-Trichloropyridine
Summenformel: C5H2Cl3N
Molmasse: 182.44

Namen und Synonyme

2,3,5-TRICHLOROPYRIDINE16063-70-0Pyridine, 2,3,5-trichloro-BRN 0119384DTXSID40166952EC 407-270-2RefChem:870581DTXCID9089443407-270-2627-924-22,3,5-TRICHLORO PYRIDINEMFCD00043007

Weitere Namen anzeigen

Dichlorostannane2,3,5-TrichL5-TrichloropyridineTrichloropyridine,98%2,3,5-trichloro-pyridin3,5,6-Trichloropyridine2,3,5-TRICHLOROPYRIDINE 98+%2,3,5-Trichloropyridine, ≥ 98.0%

516063-70-02,3,5-Trichloro-pyridine2, 3, 5-trichloropyridineSCHEMBL550269STK762573CS-W001198PB48080EU-0067746

Datenbank-Bezeichner

CAS: 16063-70-0
PubChem CID: 27666
DTXSID: DTXSID40166952
EC Number: 407-270-2、627-924-2
Nikkaji: J38.527A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 98,2

Physikochemische Eigenschaften

Schmelzpunkt: 46 · 46-50 °C (lit.)
Siedepunkt: 219 °C · 219 °C (lit.)
Dichte: 1.539 · 1.539±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.92 · -2.92±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Off-white to pale yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 119384 · 119384
InChI: InChI=1S/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Cl)C=C1Cl
CAS Datenbank: 16063 · 16063-70-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 2 notifications to the ECHA C&L Inventory.

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14071

Hazard Classes and Categories · 4 Einträge

Aquatic Chronic 3 (100%)

Hazardous to the aquatic environment (chronic) - category 3

Aquatic Chronic 3

Sicherheitsdaten

wgk: 2
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
RTECS-Nr.: UU0525000
risk_code: 52/53-36/37/38
Toxizität: mouse,LD50,intraperitoneal,430mg/kg (430mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: FATTY LIVER DEGERATIONBEHAVIORAL: ANTIPSYCHOTIC,Toxicology and Applied Pharmacology. Vol. 11, Pg. 361, 1967.
hazard_code: Xi
hazard_note: Irritant
safety_code: 61-37/39-26
hazard_class: 6.1
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 Sens. 1

Chemie und Industrie

Anwendungen

Verwenden2,3,5-Trichloropyridine may be used in the synthesis of 3,5-dichloro-2-arylpyridines via palladium acetate-catalyzed ligand-free Suzuki reaction with arylboronic acids.