(2,6-Dimethoxypyridin-3-yl)boronic acid

HCID 2762707

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Grundinformationen

CAS: 221006-70-8
Standard-SMILES: COc1ccc(B(O)O)c(OC)n1
InChIKey: ADGHSWFUZUADDH-UHFFFAOYSA-N
Summenformel: C7H10BNO4
Durchschnittliche Molmasse: 182,97 g/mol
Monoisotopische Masse: 183,0702882

Namen und Bezeichner

Bevorzugter Name: (2,6-Dimethoxypyridin-3-yl)boronic acid
IUPAC: (2,6-dimethoxy-3-pyridinyl)boronic acid
Englischer Name: 2,6-Dimethoxypyridine-3-boronic acid
Summenformel: C7H10BNO4
Molmasse: 182.97

Namen und Synonyme

(2,6-dimethoxypyridin-3-yl)boronic AcidRefChem:394704623-227-2221006-70-82,6-Dimethoxypyridine-3-boronic acid2,6-Dimethoxypyridin-3-ylboronic acid2,6-Dimethoxy-3-pyridineboronic acidMFCD037882392,6-Dimethoxy-3-pyridylboronic AcidSCHEMBL3214882,6-dimethoxypyridin-3-boronic acid2,6-dimethoxy-pyridin-3-boronic acid

Weitere Namen anzeigen

3-Borono-2,6-dimethoxypyridine2,6-Dimethoxypyridine-3-Boroni2,6-DIMETHOXY-3-PYRIDYL BORONIC ACID2,6-DIMETHOXYPYRIDINE-5-BORONIC ACID2,6-DIMETHOXYL-5-PYRIDINEBORONIC ACID(2,6-dimethoxypyridin-3-yl)boronicaci(2,6-dimethoxy-3-pyridinyl)boronic acid

RS-1019Boronic acid, (2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-pyridiorb2940492DTXSID30376381ADGHSWFUZUADDH-UHFFFAOYSA-NSTL555902TYD-00086

Datenbank-Bezeichner

CAS: 221006-70-8
PubChem CID: 2762707
DTXSID: DTXSID30376381
EC Number: 623-227-2
Nikkaji: J2.448.794F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-130°C
Siedepunkt: 341.2 · 341.2±52.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder or crystals
pka: 7.28 · 7.28±0.58(Predicted)
Farbe: White to Almost white
BRN: 9391039 · 9391039
InChI: 1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3
InChIKey: ADGHSWFUZUADDH-UHFFFAOYSA-N
SMILES: COc1ccc(B(O)O)c(OC)n1
CAS Datenbank: 221006 · 221006-70-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 2
hs_code: 2933399990
risk_code: 36/37/38-36/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Preparation of benzopyranone derivatives as positive GABAA receptor modulatorsPreparation of pyrazine derivatives as orally active corticotropin releasing factor-1 receptor antagonistsMicrowave-enhanced synthesis of trisubstituted pyridazinesPreparation of biaryl derivatives via palladium-catalyzed Suzuki-Miyaura cross-coupling reaction with aryl- or heteroaryl halidesPreparation of 3-arylpyridines via palladium-P Phos catalyzed Suzuki cross coupling