(4-(Morpholin-4-yl)phenyl)boronic acid

HCID 2795359CAS 186498-02-2

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Grundinformationen

Standard-SMILES: OB(O)c1ccc(N2CCOCC2)cc1
InChIKey: WHDIUBHAKZDSJL-UHFFFAOYSA-N
Summenformel: C10H14BNO3
Durchschnittliche Molmasse: 207,04 g/mol
Monoisotopische Masse: 207,10667371

Namen und Bezeichner

Bevorzugter Name: (4-(Morpholin-4-yl)phenyl)boronic acid
IUPAC: (4-morpholin-4-ylphenyl)boronic acid
Englischer Name: 4-Morpholinophenylboronic acid
Summenformel: C10H14BNO3
Molmasse: 207.03

Namen und Synonyme

[4-(morpholin-4-yl)phenyl]boronic acid(4-(Morpholin-4-yl)phenyl)boronic acidRefChem:402267689-738-84-Morpholinophenylboronic acid186498-02-2(4-Morpholinophenyl)boronic acid4-(MORPHOLINO)PHENYLBORONIC ACID(4-morpholin-4-ylphenyl)boronic AcidMFCD030951694-Morpholin-4-yl-phenylboronic acidBoronic acid, [4-(4-morpholinyl)phenyl]-

Weitere Namen anzeigen

inophenyLAKOS BRN-02394-(4-Boronophenyl)morpholine2 4-(Morpholino)phenylboronicacid4-(4-MORPHONYL)PHENYLBORONIC ACID4-MORPHOLIN-4-YLPHENYLBORONIC ACID(4-morpholin-4-ylphenyl)boronicaci4-(N-MORPHOLINO)-BENZENEBORONIC ACID4-(4-morpholinyl)benzeneboronic acid

[4-(4-morpholinyl)phenyl]boronic acidBoronic acid, B-[4-(4-morpholinyl)phenyl]-SCHEMBL1025324-morpholinylphenylboronic acid(4-Morpholinophenyl)boronicacidDTXSID50383633WHDIUBHAKZDSJL-UHFFFAOYSA-N4-(4-morpholinyl)phenylboronic acid

Datenbank-Bezeichner

CAS: 186498-02-2
PubChem CID: 2795359
DTXSID: DTXSID50383633
EC Number: 689-738-8
Nikkaji: J2.453.854K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 52,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Schmelzpunkt: 126 °C · 126 °C
Siedepunkt: 425.9 · 425.9±55.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder
pka: 9.26 · 9.26±0.17(Predicted)
Farbe: Grey
InChI: InChI=1S/C10H14BNO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2
InChIKey: WHDIUBHAKZDSJL-UHFFFAOYSA-N
SMILES: B(C1=CC=C(N2CCOCC2)C=C1)(O)O
CAS Datenbank: 186498 · 186498-02-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2934999090
risk_code: 22-36/37/38
hazard_code: Xn
hazard_note: Harmful
safety_code: 22-26-36/37/39
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 Oral