2-Chloro-3-hydroxybenzaldehyde

HCID 593376CAS 56962-10-8

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Grundinformationen

Standard-SMILES: O=Cc1cccc(O)c1Cl
InChIKey: SEEAPLJEIJXFFU-UHFFFAOYSA-N
Summenformel: C7H5ClO2
Durchschnittliche Molmasse: 156,56 g/mol
Monoisotopische Masse: 155,99780708

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-3-hydroxybenzaldehyde
IUPAC: 2-chloro-3-hydroxybenzaldehyde
Englischer Name: 2-Chloro-3-hydroxybenzaldehyde 97
Summenformel: C7H5ClO2
Molmasse: 156.57

Namen und Synonyme

2-Chloro-3-hydroxybenzaldehyde56962-10-8DTXSID50343939RefChem:468692DTXCID00295015627-759-62-Chloro-3-hydroxy-benzaldehydeMFCD06798118Benzaldehyde, 2-chlorohydroxy-SCHEMBL2865232-Chloro-3-hydroxybenzaldehyde #2-Chloro-3-hydroxybenzaldehyde, 97%

Weitere Namen anzeigen

2-chloro-3-hydroxy-2-Chloro-3-hydroxybenzaldehyde 972-Chloro-3-hydroxybenzaldehyde 97%

DS-2483Benzaldehyde,2-chloro-3-hydroxy-AMY14104Benzaldehyde, 2-chloro-3-hydroxy-2-Chlor-3-oxy-benzaldehydSCHEMBL29954503CS-B0145AKOS016004589

Datenbank-Bezeichner

CAS: 56962-10-8
PubChem CID: 593376
DTXSID: DTXSID50343939
EC Number: 627-759-6
Nikkaji: J2.906.706F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
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: 139 · 139-143 °C (lit.)
Siedepunkt: 245 · 245.0±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
Aggregatzustand: solid
pka: 7.77 · 7.77±0.10(Predicted)
Farbe: Off-white to faint orange
InChI: 1S/C7H5ClO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
InChIKey: SEEAPLJEIJXFFU-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc(O)c1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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: 2
ridadr: UN 3077 9/PG 3
hs_code: 2913000090
risk_code: 22-37/38-41-50
hazard_code: Xn,N
safety_code: 26-36-60-61
hazard_class: 9
packing_group: Ⅲ
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-chloro-3-hydroxy-Benzaldehyde is a versatile building block used in the preparation of positional isomers of NOSH-aspirin a dual nitric oxide and hydrogen sulfide releasing hybrid pharmaceutical.