Pcb 77

PCB-77 · 3,3',4,4'-Tetrachloro-1,1'-biphenyl · CB-77 · BZ-77 · TECB77 · 3344CB · 3344TCB · BZ NO 77

https://huagongshe.com/de/chemical/36187

Identifikatoren & physikalische Daten

CAS No.	32598-13-3
Summenformel	C12H6Cl4
Durchschnittliche Molmasse	292 g/mol
Monoisotopische Masse	289,922361 g/mol
SMILES	Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl
InChIKey	UQMGJOKDKOLIDP-UHFFFAOYSA-N
PubChem CID	36187
ChEMBL	CHEMBL344161
ChEBI	CHEBI:1367
EC No.	634-804-3
DTXSID	DTXSID5022514

Chemische & physikalische Eigenschaften

XLogP	6,6
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	1
Schwere Atome	16
Formalladung	0
Komplexität	209
Polymers	Other Classes -> Halogenated Polyaromatics
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	log Kow= 6.726.04
Löslichkeit	18.0X10-2 MG/L WATERChloroform (Slightly), Dichloromethane (Slightly)0.5489ug/L(25 ºC)
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	182-184 °C182-184℃
Dampfdruck	0.0000164 [mmHg]
Physical Description	White solid[MSDSonline]
Stability/Shelf Life	... PCB's are chemically very inert and are stable to conditions of hydrolysis and oxidation in industrial use. Photochemical degradation may be one route of their breakdown in the environment. ...
Collision Cross Section	156.4 Å² [M]+ [CCS Type: TIMS, Method: calibration with PAHs]152.09 Å² [M]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+]
Siedepunkt	374.95°C (rough estimate)
Dichte	1.4420 (rough estimate)
Brechungsindex	1.6120 (rough estimate)
Flammpunkt	100 °C
Lagerbedingungen	Sealed in dry,Room Temperature
Farbe	Pale Grey
BRN	2051251
Henry-Konstante	1.2×10-2 mol/(m3Pa) at 25℃, Bhangare et al. (2019)
InChIKey	UQMGJOKDKOLIDP-UHFFFAOYSA-N
EPA chemische Informationen	3,3',4,4'-Tetrachlorobiphenyl (32598-13-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P273, P319, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Hazard Traits - CarcinogenicityDermatotoxicityDevelopmental ToxicityEndocrine ToxicityEnvironmental toxHematotoxicityHepatotoxicity and Digestive System ToxicityReproductive ToxicityRespiratory ToxicityRegulation (EC) No 178/2002 (amended)Substance: 3,3',4,4'-tetrachloro-1,1'-biphenyl
Brandpotenzial	Flame resistant.
Gefahrenübersicht	Emergency medical treatment: see PCB-PBBA skin and eye irritantEvidence of reproductive and developmental toxicityEffects in feeding study with Rhesus monkeys at 0.3-3.0 ppm include chloracne, sebaceous gland atrophy, involution of the thymus, and hyperplasia of gastric mucosa[HSDB] See Chlorodiphenyl (42% chlorine). See Polychlorinated biphenyls and linked occupational disease.
Special Reports	ALVARES AP ET ALNATL RES COUNC CAN, (REP) NRCC/CNRC 18978, WORKSHOP COMB EFF XENOBIOTICS, 127-49 (1982). REVIEW ON ENZYME INDUCTIVE PROPERTIES OF PCBS. /POLYCHLORINATED BIPHENYLS/TSCA CHIPs present a preliminary assessment of polychlorinated biphenyl's potential for injury to human health & the environment (available at EPA's TSCA Assistance Office: (202) 554-1404 or (800) 424-9065) /Polychlorinated biphenyls/
NIOSH Recommendations	NIOSH considers chlorodiphenyl containing 54% chlorine to be a potential occupational carcinogen. /Aroclor 1254/NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concn. /Aroclor 1254/

Anwendungen & Verwendung

Verwenden

3,3'',4,4''-Tetrachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.