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HCID 27465Erstellt: 27. Oktober 2026

2,2',5,5'-Tetrachlor[1,1'-biphenyl]-4,4'-diamin

TCB · PK3 · OIP3 · PKM1 active human · 2,2',5,5'-Tetrachlor · -Tetrachlorobenzidine · 2,2’,5,5’-tetrachloro-benzidin · 3,3’,6,6’-tetrachlorobenzidine

https://huagongshe.com/de/chemical/27465

Molekülstruktur von 2,2',5,5'-Tetrachlor[1,1'-biphenyl]-4,4'-diamin

Identifikatoren & physikalische Daten

CAS No.	15721-02-5
Summenformel	C12H8Cl4N2
Durchschnittliche Molmasse	322 g/mol
Monoisotopische Masse	319,944159 g/mol
SMILES	Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl
InChIKey	UXOXUHMFQZEAFR-UHFFFAOYSA-N
PubChem CID	27465
ChEMBL	CHEMBL3186078
ChEBI	CHEBI:82540
EC No.	239-815-3
DTXSID	DTXSID7021314
Lokaler Name	2,2',5,5'-Tetrachlor[1,1'-biphenyl]-4,4'-diamin

Chemische & physikalische Eigenschaften

XLogP	4,5
Polarare Oberfläche (TPSA)	52
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	18
Formalladung	0
Komplexität	263
Endocrine Disruptors	Potential endocrine disrupting compound
Collision Cross Section	164.9 Å² [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID7021314]
Schmelzpunkt	135-140 °C(lit.)
Siedepunkt	477.67°C (rough estimate)
Dichte	1.5309 (rough estimate)
Brechungsindex	1.6000 (estimate)
Lagerbedingungen	-70°C
Löslichkeit	soluble in Methanolwater: soluble
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	1.58±0.13(Predicted)
Farbe	Light yellow to Yellow to Orange
Biologische Quelle	human
CAS Datenbank	15721-02-5(CAS DataBase Reference)
EPA chemische Informationen	[1,1'-Biphenyl]-4,4'-diamine, 2,2',5,5'-tetrachloro- (15721-02-5)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Carcinogen Classification	2,2',5,5'-TetrachlorobenzidineGroup 3: Not classifiable as to its carcinogenicity to humansVolume 27: (1982) Some Aromatic Amines, Anthraquinones and Nitroso Compounds, and Inorganic Fluorides Used in Drinking-water and Dental Preparations1987
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	2921.59.8090
RTECS-Nr.	DD1751000
R-Sätze (R)	61
Gefahrensymbole	T
Sicherheitshinweise (S)	53-45

Identifikatoren & physikalische Daten

CAS No.

15721-02-5

Summenformel

C12H8Cl4N2

Durchschnittliche Molmasse

322 g/mol

Monoisotopische Masse

319,944159 g/mol

SMILES

Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl

InChIKey

UXOXUHMFQZEAFR-UHFFFAOYSA-N

PubChem CID

27465

ChEMBL

CHEMBL3186078

ChEBI

CHEBI:82540

EC No.

239-815-3

DTXSID

DTXSID7021314

Lokaler Name

2,2',5,5'-Tetrachlor[1,1'-biphenyl]-4,4'-diamin

Chemische & physikalische Eigenschaften

XLogP

4,5

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

263

Endocrine Disruptors

Potential endocrine disrupting compound

Collision Cross Section

164.9 Å² [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID7021314]

Schmelzpunkt

135-140 °C(lit.)

Siedepunkt

477.67°C (rough estimate)

Dichte

1.5309 (rough estimate)

Brechungsindex

1.6000 (estimate)

Lagerbedingungen

-70°C

Löslichkeit

soluble in Methanolwater: soluble

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

1.58±0.13(Predicted)

Farbe

Light yellow to Yellow to Orange

Biologische Quelle

human

CAS Datenbank

15721-02-5(CAS DataBase Reference)

EPA chemische Informationen

[1,1'-Biphenyl]-4,4'-diamine, 2,2',5,5'-tetrachloro- (15721-02-5)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Carcinogen Classification

2,2',5,5'-TetrachlorobenzidineGroup 3: Not classifiable as to its carcinogenicity to humansVolume 27: (1982) Some Aromatic Amines, Anthraquinones and Nitroso Compounds, and Inorganic Fluorides Used in Drinking-water and Dental Preparations1987

Wassergefährdungsklasse (WGK)

TSCA-Inventar-Status

TSCA listed

Zollcode

2921.59.8090

RTECS-Nr.

DD1751000

R-Sätze (R)

Gefahrensymbole

Sicherheitshinweise (S)

53-45