2-Fluoro-4-methylpyridine-5-boronic acid

HCID 44118243

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Grundinformationen

CAS: 1072944-18-3
Standard-SMILES: Cc1cc(F)ncc1B(O)O
InChIKey: BAVHOAIWOSIBRD-UHFFFAOYSA-N
Summenformel: C6H7BFNO2
Durchschnittliche Molmasse: 154,94 g/mol
Monoisotopische Masse: 155,0553868

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-methylpyridine-5-boronic acid
IUPAC: (6-fluoro-4-methyl-3-pyridinyl)boronic acid
Englischer Name: 2-Fluoro-4-methylpyridine-5-boronic acid
Summenformel: C6H7BFNO2
Molmasse: 154.93

Namen und Synonyme

2-Fluoro-4-methylpyridine-5-boronic acidRefChem:472391691-618-51072944-18-32-Fluoro-4-methyl-5-pyridineboronic acid(6-fluoro-4-methylpyridin-3-yl)boronic acidMFCD087414066-Fluoro-4-methyl-3-pyridineboronic Acid(6-fluoro-4-methyl-3-pyridinyl)boronic acid2-Fluoro-4-methylpyridine-5-boronic2-Fluoro-4-Methylpyridine-5-BoronicAcid2-Fluoro-4-methyl-5-pyridineboronicacid

Weitere Namen anzeigen

CAS:1072944-18-32-F -4-Me-5-pyridine boronic acid3-Borono-6-fluoro-4-methylpyridine2-Fluoro-4-Methylpyridine-5-BoronicAci6-Fluoro-4-methylpyridine-3-boronic acid

EN300-316411F15471(6-fluoro-4-methyl-3-pyridyl)boronic acidAMY7909BCP106332-Fluoro-4-methylpyridSCHEMBL2725352SCHEMBL30087245

Datenbank-Bezeichner

CAS: 1072944-18-3
PubChem CID: 44118243
DTXSID: DTXSID70656790
EC Number: 691-618-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Siedepunkt: 331.6 · 331.6±52.0 °C(Predicted)
Dichte: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 7.05 · 7.05±0.58(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 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.