5-Fluoro-2-methylphenylboronic acid

HCID 2783190CAS 163517-62-2

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Grundinformationen

Standard-SMILES: Cc1ccc(F)cc1B(O)O
InChIKey: QKOJLMKWBRBZNQ-UHFFFAOYSA-N
Summenformel: C7H8BFO2
Durchschnittliche Molmasse: 153,95 g/mol
Monoisotopische Masse: 154,06013812

Namen und Bezeichner

Bevorzugter Name: 5-Fluoro-2-methylphenylboronic acid
IUPAC: (5-fluoro-2-methylphenyl)boronic acid
Englischer Name: 5-Fluoro-2-methylphenylboronic acid
Summenformel: C7H8BFO2
Molmasse: 153.95

Namen und Synonyme

5-Fluoro-2-methylphenylboronic acid163517-62-2(5-fluoro-2-methylphenyl)boronic acidDTXSID80382497RefChem:535842DTXCID00333522672-921-12-Methyl-5-fluorophenylboronic acid5-Fluoro-2-methylbenzeneboronic acidMFCD03095047Boronic acid, B-(5-fluoro-2-methylphenyl)-(5-fluoro-2-methyl-phenyl)boronic Acid

Weitere Namen anzeigen

AKOS BRN-06685-Fluoro-2-Methylphe2-Borono-4-fluorotoluene5-fluoro-o-tolylboronic acid4-Fluorotoluene-2-boronic acid5-Fluoro-2-methylphenylboronicaci5-Fluoro-2-methylphenyl boronic acid ,98%

SCHEMBL3378135-Fluoro-2-methylphenyl boronic acid2-methyl-5-fluorobenzene boronic acid(2-methyl-5-fluorophenyl)boronic acidAKOS004114070SY007909EN300-202254Z381540970

Datenbank-Bezeichner

CAS: 163517-62-2
PubChem CID: 2783190
DTXSID: DTXSID80382497
EC Number: 672-921-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 144 · 144-148 °C (lit.)
Siedepunkt: 287.7 · 287.7±50.0 °C(Predicted)
Dichte: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 7.57 · 7.57±0.58(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
InChI: 1S/C7H8BFO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3
InChIKey: QKOJLMKWBRBZNQ-UHFFFAOYSA-N
SMILES: Cc1ccc(F)cc1B(O)O
CAS Datenbank: 163517 · 163517-62-2(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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.