Grundinformationen
- Standard-SMILES
OCc1ccc(B(O)O)cc1- InChIKey
PZRPBPMLSSNFOM-UHFFFAOYSA-N- Summenformel
- C7H9BO3
- Durchschnittliche Molmasse
- 151,96 g/mol
- Monoisotopische Masse
- 152,06447455
Namen und Bezeichner
- Bevorzugter Name
- 4-(Hydroxymethyl)benzeneboronic acid
- IUPAC
- [4-(hydroxymethyl)phenyl]boronic acid
- Englischer Name
- 4-(Hydroxymethyl)phenylboronic acid
- Summenformel
- C7H9BO3
- Molmasse
- 151.96
Namen und Synonyme
4-(Hydroxymethyl)benzeneboronic AcidRefChem:516188672-927-459016-93-24-(Hydroxymethyl)phenylboronic acid[4-(hydroxymethyl)phenyl]boronic Acid4-hydroxymethylphenylboronic acid(4-(hydroxymethyl)phenyl)boronic acidMFCD007926724-hydroxymethyl phenylboronic acid(4-BORONOPHENYL)METHANOL4(hydroxymethyl)phenylboronic acid
Weitere Namen anzeigen
AKOS BRN-0115RARECHEM AH PB 01904-(Hydroxymethyl)Phenylboronic(4-methylolphenyl)boronic acid4-HydroMethylphenylboronicacidα-Hydroxy-p-tolueneboronic acid4-(Hydroxymethyl)phenylboronicaci(p-HydroxyMethyl)phenylboronic acid
4-(hydroxymethyl)-phenylboronic acid4-(hydroxymethyl)phenyl-boronic acid4-(hydroxymethyl)benzene boronic acidEN300-1759934-Boronobenzyl alcoholBORONIC ACID, [4-(HYDROXYMETHYL)PHENYL]-[4-(hydroxSCHEMBL112402
Datenbank-Bezeichner
- CAS
59016-93-2- PubChem CID
- 2734706
- DTXSID
DTXSID20370454- EC Number
- 672-927-4
- Nikkaji
- J1.526.601E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 60,7 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 110
Physikochemische Eigenschaften
- Schmelzpunkt
- 251 · 251-256 °C (lit.)
- Siedepunkt
- 362 · 362.0±44.0 °C(Predicted)
- Dichte
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Crystalline Powder
- pka
- 8.53 · 8.53±0.10(Predicted)
- Farbe
- White to slightly yellow
- PH
- 4.5 · 4.5 (10g/l, H2O)
- Wasserlöslichkeit
- 25 g/L · 25 g/L
- BRN
- 2831413 · 2831413
- InChI
- InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
- InChIKey
- PZRPBPMLSSNFOM-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(CO)C=C1)(O)O
- CAS Datenbank
- 59016 · 59016-93-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 11 reports by companies from 7 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
- safety_code
- 37/39-26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwendensuzuki reaction
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Vorgelagerte Rohstoffe
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