2,6-Dimethylphenylboronic acid

HCID 583322CAS 100379-00-8

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Grundinformationen

Standard-SMILES: Cc1cccc(C)c1B(O)O
InChIKey: ZXDTWWZIHJEZOG-UHFFFAOYSA-N
Summenformel: C8H11BO2
Durchschnittliche Molmasse: 149,98 g/mol
Monoisotopische Masse: 150,08520999

Namen und Bezeichner

Bevorzugter Name: 2,6-Dimethylphenylboronic acid
IUPAC: (2,6-dimethylphenyl)boronic acid
Englischer Name: 2,6-Dimethylphenylboronic acid
Summenformel: C8H11BO2
Molmasse: 149.98

Namen und Synonyme

2,6-Dimethylphenylboronic acid100379-00-82,6-Dimethylbenzeneboronic AcidDTXSID60342610RefChem:445741DTXCID80293690600-084-4(2,6-dimethylphenyl)boronic acidMFCD01009693Boronic acid, B-(2,6-dimethylphenyl)-Boronic acid, (2,6-dimethylphenyl)-(2,6-Dimethlphenyl)borate

Weitere Namen anzeigen

AKOS BRN-02232-Borono-m-xyleneRARECHEM AH PB 01952,6-Dimethylphenylbo2,6-Xylylboronic acid2,6-Xyleneboronic acid2,6-Dimethylboronic acidIndole-52-carboxaldehyde

2,6-dimethyl phenylboronic acid2,6-Dimethyl-phenylboronic AcidAKOS000278423HY-W002725GS-6707AC-247902,6-Dimethylphenylboronic acid, >=95.0%m-Xylene-2-boronic Acid

Datenbank-Bezeichner

CAS: 100379-00-8
PubChem CID: 583322
DTXSID: DTXSID60342610
ChEMBL: CHEMBL3236888
EC Number: 600-084-4
Nikkaji: J1.072.041I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 117

Physikochemische Eigenschaften

Schmelzpunkt: 105 °C · 105 °C (dec.) (lit.)
Siedepunkt: 299.9 · 299.9±50.0 °C(Predicted)
Dichte: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
pka: 8.68 · 8.68±0.58(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
InChIKey: ZXDTWWZIHJEZOG-UHFFFAOYSA-N
CAS Datenbank: 100379 · 100379-00-8(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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.