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HCID 155166Erstellt: 4. November 2026

Bde 153

PBDE-153 · PBDE No. 153 · 2,2′,4,4′,5,5′-HexaBDE · BDE No 153 solution · PBDE 153 50 μg/mL in Nonane · Benzene, 1,1'-oxybis[2,4,5-tribromo- · 2,2',4,4',5,5'-Hexabromodiphenyl ether · 2,2',4,4',5,5'-Hexabromodiphenyl ether,BDE 153

https://huagongshe.com/de/chemical/155166

Identifikatoren & physikalische Daten

CAS No.	68631-49-2
Summenformel	C12H4Br6O
Durchschnittliche Molmasse	643,6 g/mol
Monoisotopische Masse	637,53624 g/mol
SMILES	Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br
InChIKey	RZXIRSKYBISPGF-UHFFFAOYSA-N
PubChem CID	155166
ChEMBL	CHEMBL1568307
ChEBI	CHEBI:81534
EC No.	690-275-9
DTXSID	DTXSID4030047

Chemische & physikalische Eigenschaften

XLogP	7,6
Polarare Oberfläche (TPSA)	9,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	19
Formalladung	0
Komplexität	276
Polymers	Polybrominated diphenyl ether
Pestizide	Pesticide -> EPA IRIS
LogP (Verteilungskoeffizient)	7.9
Schmelzpunkt	157.6 °C
Physical Description	Solid
Collision Cross Section	185 Å² [M]+ [CCS Type: TIMS, Method: calibration with PAHs]179.26 Å² [M+H]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+]182.9 Å² [M-Br+O]-
Siedepunkt	453 °C
Dichte	2.502±0.06 g/cm3(Predicted)
Flammpunkt	-12 °C
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand	Solid
Farbe	White to Off-White
Henry-Konstante	3.7×100 mol/(m3Pa) at 25℃, Long et al. (2017)
Stabilität	Light Sensitive
Hauptanwendungen	environmental
InChI	1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H
InChIKey	RZXIRSKYBISPGF-UHFFFAOYSA-N
SMILES	Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br
EPA chemische Informationen	Benzene, 1,1'-oxybis[2,4,5-tribromo- (68631-49-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Hazard Traits - Developmental ToxicityEndocrine ToxicityHepatotoxicity and Digestive System ToxicityNeurotoxicityReproductive ToxicityRegulation (EC) No 178/2002 (amended)
Hazard Classes and Categories	Not Classified
Zielorgane	Nervous
EPA IRIS Information	2,2',4,4',5,5'-Hexabromodiphenyl ether (BDE-153)Nervous2 x 10 ^-4 mg/kg-day
RAIS Toxicity Values	0.0002IRIS Current
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06	1.30e+011.60e+024.00e+002.00e-012.00e-04Volatile
Hazard Quotient Level 3 or Cancer Risk Level 1E-04	3.80e+014.90e+021.20e+012.00e-012.00e-04Volatile
Wassergefährdungsklasse (WGK)	2
UN-Transportnummer	UN 1262 3/PG 2
R-Sätze (R)	11-38-50/53-65-67
Gefahrensymbole	F,Xn,N
Sicherheitshinweise (S)	60-61-62-33-29-16-9
Lagerklasse	3 - Flammable liquids

CAS No.

68631-49-2

Summenformel

C12H4Br6O

Durchschnittliche Molmasse

643,6 g/mol

Monoisotopische Masse

637,53624 g/mol

SMILES

Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br

InChIKey

RZXIRSKYBISPGF-UHFFFAOYSA-N

PubChem CID

155166

ChEMBL

CHEMBL1568307

ChEBI

CHEBI:81534

EC No.

690-275-9

DTXSID

DTXSID4030047

Chemische & physikalische Eigenschaften

XLogP

7,6

Polarare Oberfläche (TPSA)

9,2

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

276

Polymers

Polybrominated diphenyl ether

Pestizide

Pesticide -> EPA IRIS

LogP (Verteilungskoeffizient)

7.9

Schmelzpunkt

157.6 °C

Physical Description

Solid

Collision Cross Section

185 Å² [M]+ [CCS Type: TIMS, Method: calibration with PAHs]179.26 Å² [M+H]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+]182.9 Å² [M-Br+O]-

Siedepunkt

453 °C

Dichte

2.502±0.06 g/cm3(Predicted)

Flammpunkt

-12 °C

Lagerbedingungen

2-8°C

Löslichkeit

Chloroform (Sparingly), Ethyl Acetate (Slightly)

Aggregatzustand

Solid

Farbe

White to Off-White

Henry-Konstante

3.7×100 mol/(m3Pa) at 25℃, Long et al. (2017)

Stabilität

Light Sensitive

Hauptanwendungen

environmental

InChI

1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H

InChIKey

RZXIRSKYBISPGF-UHFFFAOYSA-N

SMILES

Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br

EPA chemische Informationen

Benzene, 1,1'-oxybis[2,4,5-tribromo- (68631-49-2)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Regulatorische Informationen

Hazard Traits - Developmental ToxicityEndocrine ToxicityHepatotoxicity and Digestive System ToxicityNeurotoxicityReproductive ToxicityRegulation (EC) No 178/2002 (amended)

Hazard Classes and Categories

Not Classified

Zielorgane

Nervous

EPA IRIS Information

2,2',4,4',5,5'-Hexabromodiphenyl ether (BDE-153)Nervous2 x 10 ^-4 mg/kg-day

RAIS Toxicity Values

0.0002IRIS Current

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06

1.30e+011.60e+024.00e+002.00e-012.00e-04Volatile

Hazard Quotient Level 3 or Cancer Risk Level 1E-04

3.80e+014.90e+021.20e+012.00e-012.00e-04Volatile

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 1262 3/PG 2

R-Sätze (R)

11-38-50/53-65-67

Gefahrensymbole

F,Xn,N

Sicherheitshinweise (S)

60-61-62-33-29-16-9

Lagerklasse

3 - Flammable liquids