2-Chloro-5-hydroxybenzoic acid

HCID 458210CAS 56961-30-9

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Grundinformationen

Standard-SMILES: O=C(O)c1cc(O)ccc1Cl
InChIKey: UTVCLUZQPSRKMY-UHFFFAOYSA-N
Summenformel: C7H5ClO3
Durchschnittliche Molmasse: 172,56 g/mol
Monoisotopische Masse: 171,9927217

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-5-hydroxybenzoic acid
IUPAC: 2-chloro-5-hydroxybenzoic acid
Englischer Name: 2-CHLORO-5-HYDROXYBENZOIC ACID
Summenformel: C7H5ClO3
Molmasse: 172.57

Namen und Synonyme

2-Chloro-5-hydroxybenzoic acid56961-30-9DTXSID90332488RefChem:86289DTXCID30283581629-948-9MFCD04038818C7H5ClO32-Chloro-5-hydroxybenzene carboxylic acid2-chloro-5-hydroxy-benzoic acidSCHEMBL201278CL8039

Weitere Namen anzeigen

2-Chloro-5-hyroxybenzoicacid3-Carboxy-4-chlorophenol2-Chloro-5-hydroxybenzoic2-Chloro-5-hydroxybenzoic Acid >2-Chloro-5-hydroxybenzoic acid 98%

AKOS005257970CS-W007855FS-2095Z12016226972-chloro-5-hydroxybenzoicacidBenzoic acid, 2-chloro-5-hydroxy-AM808243FT-0682366

Datenbank-Bezeichner

CAS: 56961-30-9
PubChem CID: 458210
DTXSID: DTXSID90332488
EC Number: 629-948-9
Nikkaji: J2.158.994B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 178 · 178-180°C
Siedepunkt: 364.5 · 364.5±27.0 °C(Predicted)
Dichte: 1.536 · 1.536±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 2.78 · 2.78±0.25(Predicted)
Farbe: White to Light yellow
CAS Datenbank: 56961 · 56961-30-9

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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-5-hydroxybenzoic Acid acts as a reagent for the synthesis, structure-activity relationship, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics.