Methylboronic Acid

HCID 139377CAS 13061-96-6

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Grundinformationen

Standard-SMILES: CB(O)O
InChIKey: KTMKRRPZPWUYKK-UHFFFAOYSA-N
Summenformel: CH5BO2
Durchschnittliche Molmasse: 59,86 g/mol
Monoisotopische Masse: 60,0382598

Namen und Bezeichner

Bevorzugter Name: Methylboronic Acid
IUPAC: methylboronic acid
Englischer Name: Methylboronic acid
Summenformel: CH5BO2
Molmasse: 59.86

Namen und Synonyme

Methylboronic acid13061-96-6Methaneboronic acid8Z1ME41SCHDTXSID20156639RefChem:818536DTXCID0079130629-203-8640-436-4methyl boronic acidDihydroxymethylboraneBoronic acid, methyl-

Weitere Namen anzeigen

METHANDROSTENOLONEdihydroxy-methyl-boraneMethyl boric acidMethylboranic acidMETHYLBORON DIHYDROXIDEMethylboronic acid ,98%

MethylboronicacidMFCD00002105Boronic acid, methyl- (9CI)methyboronic acidCH5BO2methyl-boronic acidmethane boronic acidCS-W018525

Datenbank-Bezeichner

CAS: 13061-96-6
PubChem CID: 139377
DTXSID: DTXSID20156639
ChEMBL: CHEMBL257679
UNII: 8Z1ME41SCH
EC Number: 629-203-8、640-436-4
Nikkaji: J370.863B

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 4
Formalladung: 0
Komplexität: 13,5

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-94 °C (lit.)
Siedepunkt: 141.7 · 141.7±23.0 °C(Predicted)
Dichte: 0.965 · 0.965±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: DMSO, Water
pka: 9.97 · 9.97±0.43(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
Wasserlöslichkeit: Soluble in water.
BRN: 1731087 · 1731087
InChI: InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3
InChIKey: KTMKRRPZPWUYKK-UHFFFAOYSA-N
SMILES: CB(O)O
CAS Datenbank: 13061 · 13061-96-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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