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HCID 3813634Erstellt: 1. November 2026

2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate

6-NITRO-3H-2,1-BENZOXABOROL-1-OL · 1-HYDROXY-6-NITRO-2,1-BENZOXABOROLANE · 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol · 1-hydroxy-6-nitro-3H-2,1-benzoxaborole · 2-Hydroxymethyl-5-nitrophenylboronic acid · 1,3-Dihydro-1-hydroxy-6-nitro-2,1-benzoxaborole · 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-6-nitro- · 1-hydroxy-6-nitro-3a,7a-dihydro-3H-2,1-benzoxaborole

https://huagongshe.com/de/chemical/3813634

Molekülstruktur von 2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate

Identifikatoren & physikalische Daten

CAS No.118803-40-0
SummenformelC7H6BNO4
Durchschnittliche Molmasse178,94 g/mol
Monoisotopische Masse179,0389878 g/mol
SMILESO=[N+]([O-])c1ccc2c(c1)B(O)OC2
InChIKeyGFFKBQCIGADRSN-UHFFFAOYSA-N
PubChem CID3813634
ChEMBLCHEMBL4175131
EC No.692-708-7
DTXSIDDTXSID90396782

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)75,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome13
Formalladung0
Komplexität219
Schmelzpunkt178-181°C
Siedepunkt330.6±52.0 °C(Predicted)
Dichte1.43±0.1 g/cm3(Predicted)
Lagerbedingungen2-8°C
LöslichkeitAcetonitrile (Slightly), DMSO (Slightly)
pKa (Säurekonstante)5.90±0.20(Predicted)
AggregatzustandSolid
FarbeLight Beige
InChIInChI=1S/C7H6BNO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3,10H,4H2
InChIKeyGFFKBQCIGADRSN-UHFFFAOYSA-N
SMILESB1(O)C2=CC([N+]([O-])=O)=CC=C2CO1

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Zollcode2931900090

Anwendungen & Verwendung

Verwenden

2-Hydroxymethyl-5-nitrophenylboronic Acid, dehydrated can be used as reactant/reagent for imprinted polymers as protecting groups for regioselective modification of polyfunctional substrates.