(2,6-Dichloropyridin-4-yl)methanol

HCID 2794840

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Grundinformationen

CAS: 101990-69-6
Standard-SMILES: OCc1cc(Cl)nc(Cl)c1
InChIKey: YDGJTFCKLFLWFM-UHFFFAOYSA-N
Summenformel: C6H5Cl2NO
Durchschnittliche Molmasse: 178,01 g/mol
Monoisotopische Masse: 176,97481914

Überblick

(2,6-Dichloro-4-pyridyl)methanol is a chloropyridine.

Namen und Bezeichner

Bevorzugter Name: (2,6-Dichloropyridin-4-yl)methanol
IUPAC: (2,6-dichloro-4-pyridinyl)methanol
Englischer Name: 3,5-Bis(methylsulfonyl)aniline
Summenformel: C6H5Cl2NO
Molmasse: 178.02

Namen und Synonyme

(2,6-dichloropyridin-4-yl)methanol2,6-dichloro-4-pyridinemethanolRefChem:394681641-206-6101990-69-62,6-Dichloropyridine-4-methanol(2,6-dichloro-4-pyridyl)methanol4-Pyridinemethanol, 2,6-dichloro-2,6-dichloro-4-(hydroxymethyl)pyridineMFCD000526382,6-dichloro-4-pyridinyl methanol(2,6-Dichloro-pyridin-4-yl)-methanol

Weitere Namen anzeigen

Dichloropyridine-4-methanol3,5-Bis(methylsulfonyl)aniline3,5-BIS(METHYLSULPHONYL)ANILINE2,6-Dichloro-4-pyridinemethanol>(2,6-dichloropyridin- 4-yl)methanol

2,6-dichloropyridin-4-methanol(2,6-dichloro-pyridin-4-yl)methanolSY032402EN300-19680484-Pyridinemethanol,2,6-dichloro-(2,6-Dichloropyridin-4-yl)methanol; 2,6-Dichloro-4-(hydroxymethyl)pyridine; 2,6-Dichloro-4-pyridinemethanol; 2,6-Dichloropyrid-4-ylcarbinolSCHEMBL9045152,6-dichlorpyridin-4-methanol

Datenbank-Bezeichner

CAS: 101990-69-6
PubChem CID: 2794840
DTXSID: DTXSID10383457
ChEBI: CHEBI:194714
EC Number: 641-206-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 102

Physikochemische Eigenschaften

Schmelzpunkt: 0 °C · 0°C
Siedepunkt: 0 °C · 0°C
Dichte: 1.478 · 1.478±0.06 g/cm3(Predicted)
Flammpunkt: 0 °C · 0°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 12.72 · 12.72±0.10(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-2,10H,3H2
InChIKey: YDGJTFCKLFLWFM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(CO)=C1
CAS Datenbank: 101990 · 101990-69-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (57.1%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29333990
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden2,6-Dichloro-4-pyridinemethanol is a reagent in the preparation of functionalized compounds such as bipyridines and terpyridines via Stille-type cross coupling. Also used in the preparation of fluorescent chemosensors.