2,3-Dimethylphenylboronic acid

HCID 2773395CAS 183158-34-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1cccc(B(O)O)c1C
InChIKey: ZYYANAWVBDFAHY-UHFFFAOYSA-N
Summenformel: C8H11BO2
Durchschnittliche Molmasse: 149,98 g/mol
Monoisotopische Masse: 150,08520999

Namen und Bezeichner

Bevorzugter Name: 2,3-Dimethylphenylboronic acid
IUPAC: (2,3-dimethylphenyl)boronic acid
Englischer Name: 2,3-Dimethylphenylboronic acid
Summenformel: C8H11BO2
Molmasse: 149.98

Namen und Synonyme

2,3-Dimethylphenylboronic acid183158-34-1(2,3-dimethylphenyl)boronic AcidDTXSID40378432RefChem:442552DTXCID90329459679-696-92,3-Dimethylbenzeneboronic AcidBoronic acid, B-(2,3-dimethylphenyl)-MFCD01863524o-Xylene-3-boronic AcidSCHEMBL309076

Weitere Namen anzeigen

AKOS BRN-0096RARECHEM AH PB 0184DiMethylphenylboronic aci2,3-Dimethylphenylboronic(2,3-dimethylphenyl)boronicaci2,3-Dimethylphenylboronic acid ,98%2,3-DIMETHYLBENZENEBORONIC ACID 98%

dimethyl phenylboronic acid acid2,3-dimethyl-phenylboronic acid2,3-dimethylphenyl boronic acidSCHEMBL294790672,3-dimethylbenzene boronic acid(2,3-dimethyl-phenyl)boronic acidASP-9226SBB052557

Datenbank-Bezeichner

CAS: 183158-34-1
PubChem CID: 2773395
DTXSID: DTXSID40378432
EC Number: 679-696-9
Nikkaji: J1.365.104C

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: 127

Physikochemische Eigenschaften

Schmelzpunkt: 174 · 174-180 °C(lit.)
Siedepunkt: 312.6 · 312.6±52.0 °C(Predicted)
Dichte: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Methanol
pka: 8.7 · 8.70±0.58(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
BRN: 8050763 · 8050763
InChI: 1S/C8H11BO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5,10-11H,1-2H3
InChIKey: ZYYANAWVBDFAHY-UHFFFAOYSA-N
SMILES: Cc1cccc(B(O)O)c1C
CAS Datenbank: 183158 · 183158-34-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Sicherheitsdaten

wgk: 3
hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36/37-24/25
hazard_class: IRRITANT
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,3-Dimethylphenylboronic Acid can be used in the process of preparing thermoset and thermoplastic polyimides derived from novel asym. dianhydrides such as 2,3,3'',4'' benzophenone dianhydride (a-BTDA), and 3,4''-(hexafluoroisopropylidene)diphthalic anhydride (a-6FDA).