5-Hydroxy-2-nitrobenzaldehyd

5-Hydroxy-2-nitrobenzaldehyde

HCID 39211CAS 42454-06-8

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Grundinformationen

Standard-SMILES: O=Cc1cc(O)ccc1[N+](=O)[O-]
InChIKey: XLYPHUGUKGMURE-UHFFFAOYSA-N
Summenformel: C7H5NO4
Durchschnittliche Molmasse: 167,12 g/mol
Monoisotopische Masse: 167,02185764

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxy-2-nitrobenzaldehyde
IUPAC: 5-hydroxy-2-nitrobenzaldehyde
Lokaler Name: 5-Hydroxy-2-nitrobenzaldehyd
Englischer Name: 5-Hydroxy-2-nitrobenzaldehyde
Summenformel: C7H5NO4
Molmasse: 167.12

Namen und Synonyme

5-Hydroxy-2-nitrobenzaldehyde42454-06-83-Formyl-4-nitrophenol2-Nitro-5-hydroxybenzaldehyde6-Nitro-3-hydroxybenzaldehyde5-hydroxy-2-nitro-benzaldehydeBENZALDEHYDE, 5-HYDROXY-2-NITRO-UNII-VA926Z93IFNSC 93899BRN 1910196EINECS 255-832-93-hydroxy-6-nitrobenzaldehyde

Weitere Namen anzeigen

LABOTEST-BB LT002331135-Hydroxy-2-nitrobenzaL2-NITRO-5-HYDROXYBENZALDE5-Hydroxy-2-nitrobenzaldehy5-hydroxy-2-nitro-benzaldehyd6-NITRO-3-HYDROXY BENZALDHYDE

VA926Z93IFNSC-93899DTXSID80222904-08-00-00250 (Beilstein Handbook Reference)RefChem:102765DTXCID302290255-832-9InChI=1/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10

Datenbank-Bezeichner

CAS: 42454-06-8
PubChem CID: 39211
DTXSID: DTXSID8022290
UNII: VA926Z93IF
EC Number: 255-832-9
Nikkaji: J329H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 83,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 188

Physikochemische Eigenschaften

Schmelzpunkt: 165 · 165-169 °C (lit.)
Siedepunkt: 373 · 373.0±32.0 °C(Predicted)
Dichte: 1.5 · 1.500±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
pka: 6.34 · 6.34±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Pale Yellow to Yellow
BRN: 1910196 · 1910196
Stabilität: Air Sensitive
InChI: 1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
InChIKey: XLYPHUGUKGMURE-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc(O)ccc1[N+]([O-])=O
CAS Datenbank: 42454 · 42454-06-8(CAS DataBase Reference)
NIST chemische Informationen: 5 · 5-Hydroxy-2-nitro-benzaldehyde(42454-06-8)

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 47 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: 29130000
RTECS-Nr.: CU6700000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Hydroxy-2-nitrobenzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.