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HCID 39302Erstellt: 4. November 2026

Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-

o-(4-Biphenylylcarbonyl) · 2-(4-Phenylbenzoyl)benzoic acid · 2-(4-Biphenylylcarbonyl)benzoic acid · o-(4-Biphenylylcarbonyl)benzoic acid · 2-(4-Phenylbenzoyl)benzoic acid (4BB) · 2-(biphenyl-4-ylcarbonyl)benzoic acid · O-(1,1'-diphenyl-4-carbonyl)benzoic acid · 2-(4-Biphenylylcarbonyl)benzoic Acid >2-[(4-phenylphenyl)carbonyl]benzoic acid

https://huagongshe.com/de/chemical/39302

Molekülstruktur von Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-

Identifikatoren & physikalische Daten

CAS No.	42797-18-2
Summenformel	C20H14O3
Durchschnittliche Molmasse	302,3 g/mol
Monoisotopische Masse	302,0942943 g/mol
SMILES	O=C(O)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1
InChIKey	NBYNVBRXIUUSIG-UHFFFAOYSA-N
PubChem CID	39302
ChEMBL	CHEMBL1333982
EC No.	700-862-4
DTXSID	DTXSID90195479

Chemische & physikalische Eigenschaften

XLogP	4,1
Polarare Oberfläche (TPSA)	54,4
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	23
Formalladung	0
Komplexität	417
Schmelzpunkt	225-227℃
Siedepunkt	539.3±43.0 °C(Predicted)
Dichte	1.232
Dampfdruck	0-0Pa at 25℃
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	3.34±0.36(Predicted)
Aggregatzustand	Solid:particulate/powder
Farbe	White to Almost white
LogP (Verteilungskoeffizient)	1.78 at 25℃
EPA chemische Informationen	Benzoic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)- (42797-18-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: 2-(4-Phenylbenzoyl)benzoic acid (EC: 700-862-4)
Hazard Classes and Categories	Skin Irrit. 2 (16.7%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2918.30.9000
RTECS-Nr.	DG4375000
Toxizität	mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 107, 1952.

Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-

CAS No.

42797-18-2

Summenformel

C20H14O3

Durchschnittliche Molmasse

302,3 g/mol

Monoisotopische Masse

302,0942943 g/mol

SMILES

O=C(O)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1

InChIKey

NBYNVBRXIUUSIG-UHFFFAOYSA-N

PubChem CID

39302

ChEMBL

CHEMBL1333982

EC No.

700-862-4

DTXSID

DTXSID90195479

Chemische & physikalische Eigenschaften

XLogP

4,1

Polarare Oberfläche (TPSA)

54,4

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

417

Schmelzpunkt

225-227℃

Siedepunkt

539.3±43.0 °C(Predicted)

Dichte

1.232

Dampfdruck

0-0Pa at 25℃

Lagerbedingungen

Sealed in dry,Room Temperature

pKa (Säurekonstante)

3.34±0.36(Predicted)

Aggregatzustand

Solid:particulate/powder

Farbe

White to Almost white

LogP (Verteilungskoeffizient)

1.78 at 25℃

EPA chemische Informationen

Benzoic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)- (42797-18-2)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.WarningH315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: 2-(4-Phenylbenzoyl)benzoic acid (EC: 700-862-4)

Hazard Classes and Categories

Skin Irrit. 2 (16.7%)

TSCA-Inventar-Status

TSCA listed

Zollcode

2918.30.9000

RTECS-Nr.

DG4375000

Toxizität

mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 107, 1952.