[1,1'-Biphenyl]-4,4'-dicarboxaldehyde

HCID 6200CAS 66-98-8

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Grundinformationen

Standard-SMILES: O=Cc1ccc(-c2ccc(C=O)cc2)cc1
InChIKey: FEHLIYXNTWAEBQ-UHFFFAOYSA-N
Summenformel: C14H10O2
Durchschnittliche Molmasse: 210,23 g/mol
Monoisotopische Masse: 210,06807956

Namen und Bezeichner

Bevorzugter Name: [1,1'-Biphenyl]-4,4'-dicarboxaldehyde
IUPAC: 4-(4-formylphenyl)benzaldehyde
Englischer Name: 4,4'-Biphenyldicarboxaldehyde
Summenformel: C14H10O2
Molmasse: 210.23

Namen und Synonyme

66-98-84,4'-BIPHENYLDICARBOXALDEHYDE[1,1'-Biphenyl]-4,4'-dicarboxaldehydep,p'-Diformylbiphenyl(1,1'-Biphenyl)-4,4'-dicarboxaldehydeBRN 22548074,4'-diformyl-1,1'-biphenylDTXSID602162064-07-00-02511 (Beilstein Handbook Reference)RefChem:68059DTXCID20138697FEHLIYXNTWAEBQ-UHFFFAOYSA-N

Weitere Namen anzeigen

4,4'-BiphenyldicarbaldehydeJACS-66-98-84,4'-BISBENZALDEHYDE4,4'-DIPHENYL DIALDEHYDEBiphenyl-4,4'-biscarbaldehyde

[1,1'-biphenyl]-4,4'-dicarbaldehyde4-(4-formylphenyl)benzaldehydebiphenyl-4,4'-dicarbaldehyde4,4'-DiformylbiphenylMFCD000167144,4-Biphenyldicarboxaldehyde4,4'-BiphenyldicarboxyaldehydeBifonazole Impurity 36

Datenbank-Bezeichner

CAS: 66-98-8
PubChem CID: 6200
DTXSID: DTXSID60216206
EC Number: 692-556-1
Nikkaji: J79.021D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 207

Physikochemische Eigenschaften

Schmelzpunkt: 148 °C · 148 °C
Siedepunkt: 391.7 · 391.7±35.0 °C(Predicted)
Dichte: 1.18 · 1.180±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: Crystalline Powder
Farbe: Yellow
InChI: InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H
InChIKey: FEHLIYXNTWAEBQ-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C=O)C=C2)=CC=C(C=O)C=C1
CAS Datenbank: 66 · 66-98-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.