2-Chloro-4-hydroxybenzaldehyde

HCID 185363CAS 56962-11-9

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Grundinformationen

Standard-SMILES: O=Cc1ccc(O)cc1Cl
InChIKey: ZMOMCILMBYEGLD-UHFFFAOYSA-N
Summenformel: C7H5ClO2
Durchschnittliche Molmasse: 156,56 g/mol
Monoisotopische Masse: 155,99780708

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-hydroxybenzaldehyde
IUPAC: 2-chloro-4-hydroxybenzaldehyde
Englischer Name: 2-Chloro-4-hydroxybenzaldehyde
Summenformel: C7H5ClO2
Molmasse: 156.57

Namen und Synonyme

2-Chloro-4-hydroxybenzaldehyde56962-11-9Benzaldehyde, 2-chloro-4-hydroxy-DTXSID10901216RefChem:469007DTXCID301329595623-499-2InChI=1/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10MFCD000521842-chloro-4-hydroxy-benzaldehydeBenzaldehyde, chloro-4-hydroxy-SCHEMBL115174

Weitere Namen anzeigen

TIMTEC-BB SBB0040144-Bromo-4-fluoroacetophenone2-Chloro-4-hydroxybenzaldehyde, 97%,2-CHLORO-4-HYDROXYBENZALDEHYDE 99% &2-Chloro-4-hydroxybenzaldehyde ISO 9001：2015 REACH(1R)-1-(3-bromoisoquinolin-7-yl)-2-phenylethan-1-amine

94650-94-9GS-3327Z1255419357BCP168362 -CHLORO-4-HYDROXYBENZALDEHYDEFT-0601206A8312642-Chlor-4-hydroxy-benzaldehyd

Datenbank-Bezeichner

CAS: 56962-11-9、94650-94-9
PubChem CID: 185363
DTXSID: DTXSID10901216
EC Number: 623-499-2
Nikkaji: J1.353.822K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 127

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-147 °C (lit.)
Siedepunkt: 272.5 · 272.5±20.0 °C(Predicted)
Dichte: 1.404 · 1.404±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in organic solvents.
pka: 6.81 · 6.81±0.18(Predicted)
Aggregatzustand: solid
InChI: InChI=1S/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey: ZMOMCILMBYEGLD-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(O)C=C1Cl
CAS Datenbank: 56962 · 56962-11-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Benzaldehyde, 2-chloro-4-hydroxy-(56962-11-9)

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: 29124900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-4-hydroxybenzaldehyde, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.