4'-Hydroxy-4-biphenylcarboxylic acid

HCID 301556CAS 58574-03-1

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc(-c2ccc(O)cc2)cc1
InChIKey: JTGCXYYDAVPSFD-UHFFFAOYSA-N
Summenformel: C13H10O3
Durchschnittliche Molmasse: 214,22 g/mol
Monoisotopische Masse: 214,06299418

Namen und Bezeichner

Bevorzugter Name: 4'-Hydroxy-4-biphenylcarboxylic acid
IUPAC: 4-(4-hydroxyphenyl)benzoic acid
Englischer Name: 4'-Hydroxy-4-biphenylcarboxylic acid
Summenformel: C13H10O3
Molmasse: 214.22

Namen und Synonyme

58574-03-14'-Hydroxy-4-biphenylcarboxylic acidDTXSID60306717RefChem:506142DTXCID90257844628-295-7InChI=1/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,164-(4-Hydroxyphenyl)benzoic acid4'-Hydroxy-[1,1'-biphenyl]-4-carboxylic acid4'-Hydroxybiphenyl-4-carboxylic Acid4-Hydroxy-4'-biphenylcarboxylic acidMFCD00059078

Weitere Namen anzeigen

AKOS BAR-1038RARECHEM AL BO 05374'-Hydroxy-4-biphenyL4-(4-CARBOXYPHENYL)-PHENOL4'-Hydroxy-4-biphenylcarbox4-(4-hydroxycyclohexyl)benzoate

[1,1'-Biphenyl]-4-carboxylic acid, 4'-hydroxy-4'-Hydroxy biphenyl-4-carboxylic acid4'-Hydroxy[1,1'-biphenyl]-4-carboxylic acid4-Hydroxybiphenyl-4'-carboxylic acid4'-Hydroxy-biphenyl-4-carboxylic acidCHEMBL905224-(4'-hydroxyphenyl)benzoic acidNSC179419

Datenbank-Bezeichner

CAS: 58574-03-1
PubChem CID: 301556
DTXSID: DTXSID60306717
ChEMBL: CHEMBL90522
EC Number: 628-295-7
Nikkaji: J208.616F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 236

Physikochemische Eigenschaften

Schmelzpunkt: 295 °C · 295 °C (dec.)(lit.)
Siedepunkt: 314.35 °C · 314.35°C (rough estimate)
Dichte: 1.1956 · 1.1956 (rough estimate)
Brechungsindex: 1.509 · 1.5090 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: almost transparency in hot Methanol
pka: 4.29 · 4.29±0.10(Predicted)
Aggregatzustand: Liquid or Solid
Farbe: Clear colorless to yellow
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8,14H,(H,15,16)
InChIKey: JTGCXYYDAVPSFD-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(cc1)-c2ccc(O)cc2
CAS Datenbank: 58574 · 58574-03-1(CAS DataBase Reference)

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.