6-Chloronicotinoyl Chloride

HCID 2782165

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Grundinformationen

CAS: 58757-38-3
Standard-SMILES: O=C(Cl)c1ccc(Cl)nc1
InChIKey: FMEBIWNKYZUWFV-UHFFFAOYSA-N
Summenformel: C6H3Cl2NO
Durchschnittliche Molmasse: 176 g/mol
Monoisotopische Masse: 174,95916908

Namen und Bezeichner

Bevorzugter Name: 6-Chloronicotinoyl Chloride
IUPAC: 6-chloropyridine-3-carbonyl chloride
Englischer Name: 6-CHLORONICOTINOYL CHLORIDE
Summenformel: C6H3Cl2NO
Molmasse: 176

Namen und Synonyme

6-Chloronicotinoyl chlorideRefChem:541953611-746-7629-450-158757-38-36-Chloropyridine-3-carbonyl Chloride3-Pyridinecarbonyl chloride, 6-chloro-6-chloronicotinoylchloride2-Chloropyridine-5-carbonyl chloride6-chloronicotinyl chlorideMFCD000517756-chloro-3-pyridinecarbonyl chloride

Weitere Namen anzeigen

SKL1253BUTTPARK 96\50-266- chloridesMokechloride6-Chloronicotinoyl Chlorid6-Chloronicotinoylchloride,98%6-Chloronicotinoyl Chloride >6-CHLOROPYRIDINE-3-CARBONYL CHLORIDE

6-Chloronicotinoyl chloride, 97%6-Chloropyrid-3-ylcarbonyl chloride2G-399SC1726EN300-2011126-Chloro-nicotinoyl chloride6-Chloronicotinic acid chloride6-chloronicotinic chloride

Datenbank-Bezeichner

CAS: 58757-38-3、66608-11-5
PubChem CID: 2782165
DTXSID: DTXSID00974277
EC Number: 611-746-7、629-450-1
Nikkaji: J1.124.259F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Schmelzpunkt: 48 · 48-51 °C(lit.)
Siedepunkt: 84 · 84-85°C 3mm
Dichte: 1.454 · 1.454±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Toluene
pka: -2.65 · -2.65±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to off-white
BRN: 115927 · 115927
CAS Datenbank: 58757 · 58757-38-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Met. Corr. 1 (12.5%)

Skin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 2933399990
risk_code: 36/37/38-34
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36-45-36/37/39
hazard_class: 8
packing_group: II

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-Chloronicotinoyl chloride serves as an acylating agent for synthesizing N-(6-chloronicotinoyl)-β-aminobutyric acid via Schotten–Baumann reaction with β-aminobutyric acid and NaOH at –7 to –5°C, yielding the product in over 60% yield[1]. The reagent acylates steroidal substrates, including 3β,5α,6β-trihydroxysteroids, 3β,5-dihydroxy-6-ketosteroids, and 20-hydroxyecdysone (in pyridine at room temperature), to produce new esters containing 6-chloropyridine groups[2][3].