五溴联苯醚 | 189084-66-0

• 物质功能分类: 分析化学 - 标准品 - 有机污染物标样
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 五溴联苯醚
• 中文别名: 2,3,4,4,6-五溴二苯醚
• 英文名称: 2,3',4,4',6-pentabromodiphenyl ether
• 英文别名: 2,3',4,4',6-pentrabromodiphenyl ether；2,3`,4,4`,6-pentabromodiphenyl ether；2,3',4,4',6-pentabromodiphenylether；1,3,5-tribromo-2-(3,4-dibromophenoxy)benzene
• CAS: 189084-66-0
• 化学式: C₁₂H₅Br₅O
• 分子量: 564.691
• InChiKey: KXEOYBYEJCRPGB-UHFFFAOYSA-N

物化性质

• 沸点：
  433.9±45.0 °C(Predicted)
• 密度：
  2.343±0.06 g/cm3(Predicted)
• 闪点：
  -12 °C

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn,F,N
• 安全说明：
  S60
• 危险类别码：
  R11
• WGK Germany：
  2
• 危险品运输编号：
  UN 1262 3/PG 2

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : BDE No 119 solution
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 2)
Skin irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Aspiration hazard (Category 1)
Acute aquatic toxicity (Category 1)
Chronic aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Highly flammable. Harmful: may cause lung damage if swallowed. Irritating to skin. Vapours may cause
drowsiness and dizziness. Very toxic to aquatic organisms, may cause long-term adverse effects in the
aquatic environment.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H225 Highly flammable liquid and vapour.
H304 May be fatal if swallowed and enters airways.
H315 Causes skin irritation.
H336 May cause drowsiness or dizziness.
H410 Very toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P210 Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P273 Avoid release to the environment.
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P331 Do NOT induce vomiting.
P501 Dispose of contents/ container to an approved waste disposal plant.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R11 Highly flammable.
R38 Irritating to skin.
R65 Harmful: may cause lung damage if swallowed.
R67 Vapours may cause drowsiness and dizziness.
R50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
S-phrase(s)
S9 Keep container in a well-ventilated place.
S16 Keep away from sources of ignition - No smoking.
S29 Do not empty into drains.
S33 Take precautionary measures against static discharges.
S60 This material and its container must be disposed of as hazardous waste.
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
S62 If swallowed, do not induce vomiting: seek medical advice immediately
and show this container or label.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Mixtures
: 2,3′,4,4′,6-Pentabromodiphenyl ethersolution
Synonyms
2,3′,4,4′,6-PentaBDE
PBDE 119
Formula : C12H5Br5O
Molecular Weight : 564,69 g/mol
Component Classification Concentration
2,2,4-Trimethylpentane
CAS-No. 540-84-1 Flam. Liq. 2; Skin Irrit. 2; -
EC-No. 208-759-1 STOT SE 3; Asp. Tox. 1;
Index-No. 601-009-00-8 Aquatic Acute 1; Aquatic
Chronic 1; H225, H304, H315,
H336, H410
F, Xn, N, R11 - R38 - R65 -
R67 - R50/53
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Recommended storage temperature: 2 - 8 °C
Specific end use(s)
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 98 - 99 °C at 1.013 hPa
boiling range
g) Flash point -12 °C - closed cup
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower Upper explosion limit: 6 %(V)
flammability or Lower explosion limit: 1 %(V)
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 0,690 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks. Extremes of temperature and direct sunlight.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation. Vapours may
cause drowsiness and dizziness.
Ingestion May be harmful if swallowed. Aspiration hazard if swallowed - can enter
lungs and cause damage.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life with long lasting effects.

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 1262 IMDG: 1262 IATA: 1262
UN proper shipping name
ADR/RID: OCTANES, SOLUTION
IMDG: OCTANES, SOLUTION
IATA: Octanes, SOLUTION
Transport hazard class(es)
ADR/RID: 3 IMDG: 3 IATA: 3
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: yes IMDG Marine Pollutant: yes IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  五溴联苯醚 在 溴 、 铁粉 作用下， 以 二氯甲烷 为溶剂， 以20%的产率得到2,2',3,4,4',6'-六溴联苯醚
  参考文献：
  名称：

  Synthesis and Characterization of 32 Polybrominated Diphenyl Ethers

  摘要：

  DOI：

  10.1021/es9902266
• 作为产物：
  描述：

  三溴苯酚 、 3,3',4,4'-tetrabromodiphenyliodonium chloride 在 sodium hydroxide 作用下， 以 水 为溶剂， 以8%的产率得到五溴联苯醚
  参考文献：
  名称：

  Synthesis and Characterization of 32 Polybrominated Diphenyl Ethers

  摘要：

  DOI：

  10.1021/es9902266

文献信息

• SCORCH RETARDANT HALOGENATED FLAME RETARDANT COMPOUNDS AND ARTICLES MADE THEREFROM
  申请人：PolyOne Corporation

  公开号：EP3699224A1

  公开（公告）日：2020-08-26

  A halogenated flame retardant polyethylene compound is disclosed containing at least one organic additive which presents in its molecular structure at least one nitrogen atom to serve as a scorch retardant to forestall premature crosslinking during manufacture of wire and cable insulation and/or jacketing, in order to obtain a flame retardant crosslinked polyethylene (XLPE), and especially when the XLPE material is obtained via an alkoxysilane condensation-hydrolysis step.

  本发明公开了一种卤化阻燃聚乙烯化合物，其中含有至少一种有机添加剂，该添加剂在其分子结构中至少含有一个氮原子，可作为阻燃剂防止电线电缆绝缘层和/或护套层在制造过程中过早交联，从而获得阻燃交联聚乙烯（XLPE），特别是当 XLPE 材料是通过烷氧基硅烷缩合-水解步骤获得时。
• Highly unsaturated fatty acid or highly unsaturated fatty acid ethyl ester with reduced environmental pollutants, and method for producing same
  申请人：NIPPON SUISAN KAISHA, LTD.

  公开号：US10399922B2

  公开（公告）日：2019-09-03

  A highly unsaturated fatty acid or a highly unsaturated fatty acid ethyl ester that has been produced using as a feedstock oil a fat or oil that contains highly unsaturated fatty acids as constituent fatty acids and which has been reduced in the contents of environmental pollutants, wherein among the dioxins contained, polychlorinated dibenzoparadioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) are contained in amounts of less than 0.05 pg-TEQ/g and coplanar PCBs (Co-PCBs) in amounts of less than 0.03 pg-TEQ/g. Also disclosed is a method for producing the highly unsaturated fatty acid or highly unsaturated fatty acid ethyl ester by the steps of removing free fatty acids and environmental pollutants by thin-film distillation from a feedstock oil, ethyl esterifying the resulting fat or oil, and refining the same by rectification and column chromatography.

  一种高度不饱和脂肪酸或高度不饱和脂肪酸乙酯，它是以含有高度不饱和脂肪酸作为组成脂肪酸的脂肪或油作为原料油生产的，其环境污染物含量已经降低，其中所含的二恶英中，多氯二苯并对二恶英（PCDD）和多氯二苯并呋喃（PCDF）的含量低于 0.05 pg-TEQ/g，共面多氯联苯（Co-PCB）的含量低于 0.03 pg-TEQ/g。05 pg-TEQ/g，共面多氯联苯（Co-PCBs）含量低于 0.03 pg-TEQ/g。本发明还公开了一种生产高度不饱和脂肪酸或高度不饱和脂肪酸乙酯的方法，其步骤是通过薄膜蒸馏法从原料油中去除游离脂肪酸和环境污染物，对所得脂肪或油进行乙酯化，并通过精馏和柱层析法对其进行精制。
• Synthesis of Polybrominated Diphenyl Ethers and Their Capacity to Induce CYP1A by the Ah Receptor Mediated Pathway
  作者：Guosheng Chen、Alexandre D. Konstantinov、Brock G. Chittim、Elizabeth M. Joyce、Niels C. Bols、Nigel J. Bunce

  DOI：10.1021/es0107475

  日期：2001.9.1

  Polybrominated diphenyl ethers (PBDEs) have become widely distributed as environmental contaminants due to their use as flame retardants. Their structural similarity to other halogenated aromatic pollutants has led to speculation that they might share toxicological properties such as hepatic enzyme induction. In this work we synthesized a number of PBDE congeners, studied their affinity for rat hepatic Ah receptor through competitive binding assays, and determined their ability to induce hepatic cytochrome P-450 enzymes by means of EROD (ethoxyresorufin-O-deethylase) assays in human, rat, chick, and rainbow trout cells. Both pure PBDE congeners and commercial PBDE mixtures had Ah receptor binding affinities 10(-2)-10(-5) times that of 2,3,7,8-tetrachlorodibenzo-p-dioxin. In contrast with polychlorinated biphenyls, Ah receptor binding affinities of PBDEs could not be related to the planarity of the molecule, possibly because the large size of the bromine atoms expands the Ah receptor's binding site. EROD activities of the PBDE congeners followed a similar rank order in all cells. Some congeners, notably PBDE 85, did not follow the usual trend in which strength of Ah receptor binding affinity paralleled P-450 induction potency. Use of the gel retardation assay with a synthetic oligonucleotide indicated that in these cases the liganded Ah receptor failed to bind to the DNA recognition Sequence.
• HIGHLY UNSATURATED FATTY ACID OR HIGHLY UNSATURATED FATTY ACID ETHYL ESTER WITH REDUCED ENVIRONMENTAL POLLUTANTS, AND METHOD FOR PRODUCING SAME
  申请人：NIPPON SUISAN KAISHA, LTD.

  公开号：US20150126760A1

  公开（公告）日：2015-05-07

  A highly unsaturated fatty acid or a highly unsaturated fatty acid ethyl ester that has been produced using as a feedstock oil a fat or oil that contains highly unsaturated fatty acids as constituent fatty acids and which has been reduced in the contents of environmental pollutants, wherein among the dioxins contained, polychlorinated dibenzoparadioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) are contained in amounts of less than 0.05 pg-TEQ/g and coplanar PCBs (Co-PCBs) in amounts of less than 0.03 pg-TEQ/g. Also disclosed is a method for producing the highly unsaturated fatty acid or highly unsaturated fatty acid ethyl ester by the steps of removing free fatty acids and environmental pollutants by thin-film distillation from a feedstock oil, ethyl esterifying the resulting fat or oil, and refining the same by rectification and column chromatography.
• US9540306B2
  申请人：——

  公开号：US9540306B2

  公开（公告）日：2017-01-10