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Basic information
- Standard SMILES
Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1- InChIKey
WHPVYXDFIXRKLN-UHFFFAOYSA-N- Molecular formula
- C12H5Br5O
- Average molar mass
- 564.691 g/mol
- Monoisotopic mass
- 559.62572528
Names & identifiers
- Preferred name
- 2,2',4,4',5-Pentabromodiphenyl ether
- IUPAC
- 1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene
- English name
- 2,2',4,4',5-Pentabromodiphenyl ether
- Molecular formula
- C12H5Br5O
- Molecular weight
- 564.69
Names & synonyms
BDE-99PBDE-99BDE No 99PBDE No. 99Fish Tissue (PBDEs)2,2′,4,4′,5-PentaBDEBDE No 99 solutionPBDE 99 50 μg/mL in Nonane22445PENTABROMINATEDDIPHENYLETHER2,2',4,4',5-Pentabromodiphenyl ether
Database identifiers
- CAS
32534-81-9、60348-60-9- PubChem CID
- 36159
- DTXSID
DTXSID9030048- ChEMBL
CHEMBL374400- ChEBI
CHEBI:81582- UNII
- D3A2T91I1E
- EC Number
- 251-084-2、690-282-7
- Nikkaji
- J767.355H
Properties
Physicochemical properties
- Melting point
- 84 · 84-85 °C(Solv: tetrahydrofuran (109-99-9); water (7732-18-5); acetonitrile (75-05-8))
- Boiling point
- 416 °C · 416 °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 (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
- form
- Semi-Solid to Solid
- color
- White to Pale Pink
- Henry's Law Constant
- 1.5 · 1.5×100 mol/(m3Pa) at 25℃, Long et al. (2017)
- Stability
- Light Sensitive
- Major Application
- environmental
- InChI
- 1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H
- InChIKey
- WHPVYXDFIXRKLN-UHFFFAOYSA-N
- SMILES
- BrC1=C(OC2=CC(Br)=C(Br)C=C2Br)C=CC(Br)=C1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 A2T91I1E · D3A2T91I1E
- EPA Substance Registry System
- 1 · Benzene, 1,2,4-tribromo-5-(2,4-dibromophenoxy)- (60348-60-9)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 362 · H362-H373-H410
- Precautionary statements
- 201 · P201-P260-P263
- 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
- Warning
- Symbol(GHS)
- 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
- H362-H373-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P201-P260-P263
Chemistry & industry
Applications
Uses2,2',4,4',5-Pentabromodiphenyl ether is part of a group of polybromatinated diphenyl ethers that are widely used as brominated flame retardants. 2,2',4,4',5-Pentabromodiphenyl ether is suspected to be a toxic substance to humans, causing endocrine mediated effects on the body and possibly causing developmental effects in nursed babies. One of the new POPs under the Stockholm Convention
Suppliers31 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
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江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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山东弗珍化学科技有限公司13146841504 · [email protected]
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上海泰坦科技股份有限公司18616708014 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
广州贝尔卡生物科技有限公司+86-18665676617
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上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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河南卓凡化工有限公司15638881523 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 2,4-dibromophenyl 2,4,5-tribromophenyl ether is a polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 4, 5, 2', and 4' positions have been replaced by bromines.
Related reactions
1 records
Linked notes
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