2,2',4,4',6-Pentabromodiphenyl ether

HCID 154083CAS 189084-64-8

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
InChIKey: NSKIRYMHNFTRLR-UHFFFAOYSA-N
Molecular formula: C12H5Br5O
Average molar mass: 564.691 g/mol
Monoisotopic mass: 559.62572528

Names & identifiers

Preferred name: 2,2',4,4',6-Pentabromodiphenyl ether
IUPAC: 1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene
English name: 2,2',4,4',6-Pentabromodiphenyl ether
Molecular formula: C12H5Br5O
Molecular weight: 564.69

Names & synonyms

BDE-100PBDE-100PBDE No. 1002,2′,4,4′,6-PentaBDEBDE No 100 solutionPBDE 100 50 μg/mL in Nonane22446PENTABROMOBIPHENYLETHER22446PENTABROMINATEDDIPHENYLETHER2,2',4,4',6-PentabromodiphenylEther2,2',4,4',6-Pentabromodiphenyl ether

Database identifiers

CAS: 189084-64-8
PubChem CID: 154083
DTXSID: DTXSID4052689
ChEBI: CHEBI:138065
UNII: YW2W2K0A6U
EC Number: 690-350-6
Nikkaji: J952.365K

Properties

Physicochemical properties

Melting point: 97 · 97-98 °C(Solv: tetrahydrofuran (109-99-9); acetonitrile (75-05-8))
Boiling point: 434 °C · 434 °C
Density: 2.343 · 2.343±0.06 g/cm3(Predicted)
Flash point: -12 °C · -12 °C
storage temp.: 2 · 2-8°C
solubility: Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly, Heated)
form: Solid
color: White to Off-White Waxy
Henry's Law Constant: 3.6 · 3.6×100 mol/(m3Pa) at 25℃, Long et al. (2017)
Major Application: environmental
InChI: 1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
InChIKey: NSKIRYMHNFTRLR-UHFFFAOYSA-N
SMILES: Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
FDA UNII: 2 W2K0A6U · YW2W2K0A6U
EPA Substance Registry System: 1 · Benzene, 1,3,5-tribromo-2-(2,4-dibromophenoxy)- (189084-64-8)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 2 · GHS02,GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 225 · H225-H304-H315-H336-H410
Precautionary statements: 210 · P210-P261-P273-P301+P310-P331-P501
target organs: Central nervous system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xn,N
Risk Statements: 11 · 11-38-50/53-65-67
Safety Statements: 60 · 60-61-62-33-29-16-9
RIDADR: 1262 · UN 1262 3/PG 2
WGK Germany: 2 · 2
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
ridadr: UN 1262 3/PG 2
risk_code: 11-38-50/53-65-67
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS08,GHS09
hazard_code: F,Xn,N
safety_code: 60-61-62-33-29-16-9
Storage Class: 3 - Flammable liquids
target organs: Central nervous system
Hazard statements: H225-H304-H315-H336-H410
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P261-P273-P301+P310-P331-P501

Chemistry & industry

Applications

Uses2,2',4,4',6-Pentabromodiphenyl Ether, is one of the Polybrominated di-Ph ethers (PBDEs), which are a new class of global, persistent, and toxic contaminants. It is used as Brominated flame retardants (BFRs) in various consumer products.

Suppliers15 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海稳同科技有限公司02151600108 13062666369 · [email protected]

Additional notes

DefinitionChEBI: 2,4-dibromophenyl 2,4,6-tribromophenyl ether is a polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 6, 2', and 4' positions have been replaced by bromines.

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Linked notes

Loading…