Alpha,Alpha,2,3,5,6-六氯对二甲苯 | 1079-17-0

• 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: Alpha,Alpha,2,3,5,6-六氯对二甲苯
• 中文别名: Α,Α',2,3,5,6-六氯对二甲苯；Alpha,Alpha',2,3,5,6-六氯对二甲苯；α,α,2,3,5,6-六氯对二甲苯
• 英文名称: 2,3,5,6-tetrachloro-p-xylylene dichloride
• 英文别名: 1,4-bis-(chloromethyl)-2,3,5,6-tetrachlorobenzene；1,2,4,5-tetrachloro-3,6-bis(chloromethyl)benzene；1,4-bis(chloromethyl)-2,3,5,6-tetrachlorobenzene；α,α',2,3,5,6-hexachloro-p-xylene；1,2,4,5-tetrachloro-3,6-bis-chloromethyl-benzene；1,2,4,5-Tetrachlor-3,6-bis-chlormethyl-benzol；alpha,alpha',2,3,5,6-Hexachloro-p-xylene
• CAS: 1079-17-0
• 化学式: C₈H₄Cl₆
• mdl: MFCD00000894
• 分子量: 312.838
• InChiKey: IYGDLOMSJZQSGY-UHFFFAOYSA-N

物化性质

• 熔点：
  181 °C
• 沸点：
  345.0±0.0 °C(Predicted)
• 密度：
  1.88 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  8
• 危险品运输编号：
  UN 1759
• 海关编码：
  2903999090
• 包装等级：
  III
• 危险类别：
  8
• 储存条件：
  室温且干燥

SDS

α,α',2,3,5,6-Hexachloro-p-xylene Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: α,α',2,3,5,6-Hexachloro-p-xylene


Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Corrosive to metals Category 1
HEALTH HAZARDS
Skin corrosion/irritation Category 1C
Serious eye damage/eye irritation Category 1
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Hazard statements May be corrosive to metals
Causes severe skin burns and eye damage
Precautionary statements:
[Prevention] Keep only in original container.
Do not breathe dust/fume/gas/mist/vapours/spray.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
Absorb spillage to prevent material damage.
Store locked up.
[Storage]
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.
α,α',2,3,5,6-Hexachloro-p-xylene

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components: α,α',2,3,5,6-Hexachloro-p-xylene
>98.0%(GC)
Percent:
CAS Number: 1079-17-0
Chemical Formula: C8H4Cl6

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Immediately call a POISON CENTER or doctor/physician.
Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
Skin contact:
soap and water. Immediately call a POISON CENTER or doctor/physician.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Ingestion: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Use corrosive resistant equipment.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws. Keep only in original container.
α,α',2,3,5,6-Hexachloro-p-xylene

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust. Also install safety shower and eye bath.
Engineering controls:
Personal protective equipment
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection: Impervious gloves.
Safety goggles. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White - Slightly pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:181°C
Boiling point/range: No data available
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
No data available
Upper:
Relative density: No data available
Solubility(ies):
[Water] No data available
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
α,α',2,3,5,6-Hexachloro-p-xylene

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Section 12. ECOLOGICAL INFORMATION
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: 8: Corrosive.
3261
UN-No:
Proper shipping name: Corrosive solid, acidic, organic, n.o.s.
III
Packing group:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Alpha,Alpha,2,3,5,6-六氯对二甲苯 在 sodium iodide 作用下， 以 丙酮 为溶剂， 生成 α,α'-Dijod-2,3,5,6-tetrachlor-p-xylol
  参考文献：
  名称：

  2,6-二氯苄基碘化物和一些 α,α'-m-二甲苯基卤化物的内旋转屏障。苯扎卤化物中过渡态构象的实验证据

  摘要：

  α,α'-di-X-2,4,5,6-dichloro-m-二甲苯 (X = Cl, Br, I ) 的内旋势垒由质子磁共振能带分析确定。它们的大小是实验性的……

  DOI：

  10.1139/v74-350
• 作为产物：
  描述：

  对二甲苯 在 四氯化碳 、 氯 、 铁粉 作用下， 生成 Alpha,Alpha,2,3,5,6-六氯对二甲苯
  参考文献：
  名称：

  Halogenated organic compounds

  摘要：

  公开号：

  US02412389A1

文献信息

• Phosphonic acid derivatives useful as anti-inflammatory agents
  申请人：The Upjohn Company

  公开号：US05298498A1

  公开（公告）日：1994-03-29

  Novel acids, esters, and salts of phenyl, naphthyl, quinoxalinyl, and biphenyl bisphosphonic acids and 1,2-oxaphosphepins are described. These compounds are useful as antiinflammatory and anti-arthritic agents. Also described are known compounds of the phenyl, naphthyl, quinoxalinyl, and biphenyl bisphosphonate classes which are also useful as antiinflammatory and anti-arthritic agents. Representative compounds include [1,2-phenyldiyl]bis (methylene)bisphosphonic acid tetramethyl ester, [2,3-quinoxalindiyl]bis(methylene)bisphosphonic acid tetramethyl ester, [[3-(propyl)-4-(methoxy)-1,8-naphthalenediyl]bis(methylene)]bisphosphonic acid tetramethyl ester, [2,6-naphthalenediylbis(methylene) bisphosphonic acid tetraethyl ester, and [2,2'-biphenylenebis(methyl)]bisphosphonic acid tetramethyl ester. Representative oxaphosphepins include the preferred 3,4-dihydro-3-methoxy -7-(phenylmethoxy)-1H-naphth[1,8de][1,2]oxaphosphepin-3-oxide.

  描述了苯基、萘基、喹喔啉基和联苯双膦酸以及1,2-氧代膦环戊醚的新型酸、酯和盐。这些化合物可用作抗炎和抗关节炎药物。还描述了苯基、萘基、喹喔啉基和联苯双膦酸类的已知化合物，这些化合物也可用作抗炎和抗关节炎药物。代表性化合物包括[1,2-苯基]双(亚甲基)双膦酸四甲酯，[2,3-喹喔啉基]双(亚甲基)双膦酸四甲酯，[[3-(丙基)-4-(甲氧基)-1,8-萘基]双(亚甲基)]双膦酸四甲酯，[2,6-萘基双(亚甲基)双膦酸四乙酯以及[2,2'-联苯基双(甲基)]双膦酸四甲酯。代表性氧代膦环戊醚包括首选的3,4-二氢-3-甲氧基-7-(苯基甲氧基)-1H-萘[1,8-de][1,2]氧代膦环戊醚-3-氧化物。
• Bis-carbalkoxy compounds and their preparation
  申请人：Dynamit Nobel Aktiengesellschaft

  公开号：US04288607A1

  公开（公告）日：1981-09-08

  The invention relates to halogenous polyesters with the recurrent general formula ##STR1## in which at least part of the R's, e.g. 1 to 100 mole-%, preferably 100 mole-%, or 2 to 10 mole-%, are of the general formulas ##STR2## and 0 to 99 mole-%, preferably 0 or 90 to 98 mole-%, of the R's correspond to a phenylene radical and/or a naphthylene radical and/or an alkylene radical of 3 to 10 carbon atoms and/or a cycloalkylene radical, and the R's represent an organic moiety which is contained in bivalent saturated alcohols and corresponds to a branched or unbranched saturated alkylene radical of 2 to 10 carbon atoms and/or to a cycloalkylene radical and/or which is derived from an alkyleneterephthalate containing hydroxyl groups, preferably an oligomeric ethyleneterephthalate and/or an oligomeric propyleneterephthalate and/or an oligomeric butyleneterephthalate, wherein Z represents the groups ##STR3## and X represents hydrogen, bromine or chlorine, wherein at least some of the X's are bromine or chlorine, and in which polyesters, in some cases, a portion of the R's are residues of unsaturated dicarboxylic acid derivatives which, together with ethylenically unsaturated comonomers, preferably styrene, are capable of forming peroxide-curable unsaturated polyester resin (UP resin) solutions, and their preparation as well as their use as fire-retardant molding compositions or articles, and also dicarboxylic acid esters some of which can be used in the preparation of the polyesters as well as the preparation of these dicarboxylic acid esters. Preferably the xylene nucleus in (2) is substituted by Br.sub.4.0 to 2.8 and Cl.sub.0 to 1.2.

  本发明涉及具有循环一般式 ##STR1## 的卤代聚酯，其中至少部分的R，例如1到100摩尔％，优选100摩尔％或2到10摩尔％，为下列一般式之一 ##STR2## 和0到99摩尔％，优选0或90到98摩尔％的R对应于苯基基团和/或萘基基团和/或3到10个碳原子的烷基基团和/或环烷基团，其中R表示有机基团，该有机基团包含双价饱和醇中的一种，并对应于2到10个碳原子的支链或直链饱和烷基团和/或环烷基团和/或源自含有羟基的烷基对苯二甲酸酯，优选为低聚乙烯对苯二甲酸酯和/或低聚丙烯对苯二甲酸酯和/或低聚丁烯对苯二甲酸酯，其中Z表示羟基和/或卤素基，X表示氢、溴或氯，其中至少一些X是溴或氯，并且在某些情况下，这些聚酯中的一部分R是不饱和二羧酸衍生物的残基，这些残基与乙烯基不饱和共聚物（优选为苯乙烯）一起能够形成过氧化物可固化的不饱和聚酯树脂（UP树脂）溶液，以及它们的制备，以及它们作为阻燃成型组合物或制品的用途，以及一些可用于制备聚酯和这些二羧酸酯的制备的二羧酸酯。优选的是（2）中的二甲苯核被Br.sub.4.0至2.8和Cl.sub.0至1.2取代。
• Tetrahalogen xylylene diacrylates, tetrahalogen xylyl acrylates,
  申请人：Dynamit Nobel Aktiengesellschaft

  公开号：US04059618A1

  公开（公告）日：1977-11-22

  Compounds of the formula: ##STR1## WHEREIN: EACH X is chloro or bromo Y is methyl or bromo n is 0 or 1 Each of R and R' is hydrogen or methyl. The compounds are produced by contacting an alkali salt of R'--(CH.dbd.C(R)--COOH with tetrahalogen xylene chloride or xylylene dichloride or pentabromobenzylchloride in a polar solvent. The compounds are useful as comonomers and as cross linking agents in polymerization of unsaturated compounds.

  化合物的化学式为：##STR1## 其中：每个X是氯或溴，Y是甲基或溴，n为0或1，R和R'中的每一个都是氢或甲基。这些化合物是通过在极性溶剂中与R'-(CH.dbd.C(R)-COOH的碱盐接触四卤代二甲苯氯化物或二氯代二甲苯或五溴苯甲基氯化物而产生的。这些化合物在不饱和化合物聚合中作为共聚单体和交联剂是有用的。
• [EN] PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ISOXAZOLINE COMPOUNDS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS ISOXAZOLINE OPTIQUEMENT ACTIFS
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016023787A1

  公开（公告）日：2016-02-18

  The present invention relates to a process for the preparation of a compound of formula (I) wherein A1 and A2 are C-H, or one of A1 and A2 is C-H and the other is N; R1 is C1-C4alkyl, C1-C4haloalkyl or C3-C6cycloalkyl; each R2 is independently bromo, chloro, fluoro or trifluoromethyl; R3 is hydrogen; R4 is hydrogen, halogen, methyl, halomethyl or cyano; or R3 and R4 together form a bridging 1,3-butadiene group; R5 is chlorodifluoromethyl or trifluoromethyl; n is 2 or 3; by reacting a compound of formula (II) wherein A1, A2, R1, R2, R3, R4, R5 and n is as defined under formula (I) above, with hydroxylamine, a base and a chiral catalyst, characterized in that the chiral catalyst is a dimeric chiral catalyst of formula (III) wherein R6, R7, R8, R9, R10 and X are as defined in claim 1.

  本发明涉及一种制备式（I）化合物的方法，其中A1和A2是C-H，或者A1和A2中的一个是C-H，另一个是N；R1是C1-C4烷基，C1-C4卤代烷基或C3-C6环烷基；每个R2独立地是溴、氯、氟或三氟甲基；R3是氢；R4是氢、卤素、甲基、卤代甲基或氰基；或者R3和R4一起形成桥接的1,3-丁二烯基团；R5是氯二氟甲基或三氟甲基；n为2或3；通过将式（II）化合物与羟胺、碱和手性催化剂反应，其中A1、A2、R1、R2、R3、R4、R5和n如上述式（I）所定义，其特征在于手性催化剂是式（III）的二聚手性催化剂，其中R6、R7、R8、R9、R10和X如权利要求1所定义。
• Bisphosphonic acid derivatives useful as anti-arthritic agents
  申请人：The Upjohn Company

  公开号：US05360797A1

  公开（公告）日：1994-11-01

  Novel acids, esters, and salts of phenyl, naphthyl, quinoxalinyl, and biphenyl bisphosphonic acids and 1,2-oxaphosphepins are described. These compounds are useful as antiinflammatory and anti-arthritic agents. Also described are known compounds of the phenyl, naphthyl, quinoxalinyl, and biphenyl bisphosphonate classes which are also useful as antiinflammatory and anti-arthritic agents. Representative compounds include [1,2-phenyldiyl]bis(methylene)bisphosphonic acid tetramethyl ester, [2,3-quinoxalindiyl]bis(methylene)bisphosphonic acid tetramethyl ester, [[3-(propyl)-4-(methoxy)-1,8-naphthalenediyl]bis(methylene)]bisphosphonic acid tetramethyl ester, [2,6-naphthalenediylbis(methylene)bisphosphonic acid tetraethyl ester, and [2,2'-biphenylenebis(methyl)]bisphosphonic acid tetramethyl ester. Representative oxaphosphepins include the preferred 3,4-dihydro-3-methoxy-7-(phenylmethoxy)-1H-naphth[1,8de][1,2]oxaphosphepin -3-oxide.

  本文描述了苯基、萘基、喹喔啉基和联苯基双膦酸和1,2-氧杂膦烷的新型酸、酯和盐。这些化合物可用作抗炎和抗关节炎药物。本文还描述了苯基、萘基、喹喔啉基和联苯基双膦酸类的已知化合物，这些化合物也可用作抗炎和抗关节炎药物。代表性化合物包括[1,2-苯基二基]双(亚甲基)膦酸四甲酯，[2,3-喹喔啉二基]双(亚甲基)膦酸四甲酯，[[3-(丙基)-4-(甲氧基)-1,8-萘二基]双(亚甲基)]双膦酸四甲酯，[2,6-萘二基双(亚甲基)双膦酸四乙酯和[2,2'-联苯基双(甲基)]双膦酸四甲酯。代表性氧杂膦烷包括优选的3,4-二氢-3-甲氧基-7-(苯甲氧基)-1H-萘[1,8- de][1,2]氧杂膦烷-3-氧化物。

表征谱图