4-(Dimethylamino)phenylboronic acid

HCID 2734344

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Grundinformationen

CAS: 28611-39-4
Standard-SMILES: CN(C)c1ccc(B(O)O)cc1
InChIKey: RIIPFHVHLXPMHQ-UHFFFAOYSA-N
Summenformel: C8H12BNO2
Durchschnittliche Molmasse: 165 g/mol
Monoisotopische Masse: 165,09610902

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)phenylboronic acid
IUPAC: [4-(dimethylamino)phenyl]boronic acid
Englischer Name: 4-(Dimethylamino)phenylboronic acid
Summenformel: C8H12BNO2
Molmasse: 165

Namen und Synonyme

28611-39-44-(Dimethylamino)phenylboronic acid4-(Dimethylamino)benzeneboronic acidDTXSID00370235RefChem:515985DTXCID90321271628-766-7(4-(Dimethylamino)phenyl)boronic acid4-(N,N-Dimethylamino)phenylboronic acid[4-(dimethylamino)phenyl]boronic acidMFCD010746424-Dimethylaminophenylboronic acid

Weitere Namen anzeigen

AKOS BRN-0094RARECHEM AH PB 01564-dimethylaminobenzene borate4-N,N-Dimethylphenylboronic acid4-(N,N-DiMethylaMino)phenylbor. ac4-DIMENTHYLAMINOPHENYLBORONIC ACID4-(dimethylamino)phenyl]boronicaci[4-(Dimethylamino)phenyl]boric acid

BORONIC ACID, B-[4-(DIMETHYLAMINO)PHENYL]-4-(Dimethylamino)phenylboronicacidBP-113534-(Dimethylamino)phenylboronic acid, >=95.0%(4-dimethylaminophenyl)boronic Acid4-DIMETHYLAMINOBENZENEBORONIC ACID4-dimethylaminophenyl boronic acid[4-(dimethylamino)phenyl]boranediol

Datenbank-Bezeichner

CAS: 28611-39-4
PubChem CID: 2734344
DTXSID: DTXSID00370235
EC Number: 628-766-7
Nikkaji: J995.315I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 43,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Schmelzpunkt: 227 °C · 227 °C(lit.)
Siedepunkt: 329.9 · 329.9±44.0 °C(Predicted)
Dichte: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: 0 · 0-6°C
pka: 8.78 · 8.78±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to green-gray or blue-gray
Wasserlöslichkeit: Sparingly soluble in water. (~2.5%)
InChI: InChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey: RIIPFHVHLXPMHQ-UHFFFAOYSA-N
SMILES: B(C1=CC=C(N(C)C)C=C1)(O)O
CAS Datenbank: 28611 · 28611-39-4(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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29319090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: IRRITANT, AIR SENSITIVE, KEEP COLD
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-(Dimethylamino)phenylboronic Acid can be used as reactant/reagent in preparation of biaryls via palladium-catalyzed Suzuki-Miyaura coupling of nitroarenes with boronic acids.