2,6-二甲酰基-4-氯苯酚 | 32596-43-3

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香醛(含缩醛,半缩醛)
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,6-二甲酰基-4-氯苯酚
• 中文别名: 2,5-二氟苄溴；5-氯-2-羟基间苯二甲醛
• 英文名称: 2,6-diformyl-4-chlorophenol
• 英文别名: 5-Chloro-2-hydroxyisophthalaldehyde；5-chloro-2-hydroxybenzene-1,3-dicarbaldehyde
• CAS: 32596-43-3
• 化学式: C₈H₅ClO₃
• mdl: MFCD00067051
• 分子量: 184.579
• InChiKey: MYHXSDYZVOKOAT-UHFFFAOYSA-N

物化性质

• 熔点：
  119-125 °C
• 沸点：
  246.1±40.0 °C(Predicted)
• 密度：
  1.3964 (estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22
• 海关编码：
  2913000090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P330,P362,P403+P233,P501
• 危险性描述：
  H302,H312,H332
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	2 6-Diformyl-4-Chlorophenol 99% Material Safety Data Sheet
Synonym:	None known
CAS:	32596-43-3

Section 1 - Chemical Product MSDS Name:2 6-Diformyl-4-Chlorophenol 99% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
32596-43-3	2,6-Diformyl-4-Chlorophenol	99	251-123-3

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 32596-43-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: light yellow to yellow
Odor: phenol-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 121.00 - 125.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in methanol, ethanol, chloroform
Specific Gravity/Density:
Molecular Formula: C8H5O3Cl
Molecular Weight: 184.50

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 32596-43-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,6-Diformyl-4-Chlorophenol - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 32596-43-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 32596-43-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 32596-43-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,6-二甲酰基-4-氯苯酚 在 sodium hydroxide 、 adogen 464 、 三乙胺 、 奎宁环-3-醇 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 365.0h， 生成 2-{Acetoxy-[3-(1-acetoxy-2-methoxycarbonyl-allyl)-5-chloro-2-methoxy-phenyl]-methyl}-acrylic acid methyl ester
  参考文献：
  名称：

  新的[5,7]正环环烷，[7,7]环环烷和相应的大双环隐环烯的合成及其结构特征。

  摘要：

  与丙烯酸甲酯二醛的的Baylis-Hillman反应，接着将得到的二元醇的乙酰化，得到二乙酸酯3，14，16和20。用氨处理后，这些二乙酸酯提供了新的环烷和相应的大双环隐烷。描述了环烷的构象分析。

  DOI：

  10.1016/s0040-4020(01)85265-0
• 作为产物：
  描述：

  5-氯间二甲苯-2,alpha,alpha'-三醇 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 生成 2,6-二甲酰基-4-氯苯酚
  参考文献：
  名称：

  A Novel Selective Oxidation of 5-Substituted 2-Hydroxy-3-hydroxymethylbenzaldehydes

  摘要：

  5-取代的2-羟基-1,3-苯二甲醛3和5-取代的3-甲酰基-2-羟基苯甲酸4是通过在一锅反应中选择性氧化5-取代的2-羟基-3-(羟甲基)苯甲醛1制备的。化合物1与乙二胺和乙酸铜反应，生成中间体络合物2，其中羧基和酚羟基在随后的氧化步骤中得到了保护。

  DOI：

  10.1055/s-1991-26458

文献信息

• Highly active tridentate amino-phenol zinc complexes for the catalytic ring-opening polymerization of ε-caprolactone
  作者：Qian Hu、Suyun Jie、Pierre Braunstein、Bo-Geng Li

  DOI：10.1016/j.jorganchem.2018.12.013

  日期：2019.3

  Tridentate 2,6-bis(imino)phenol (L1−L4) and 2,6-bis(amino)phenol (L5−L8) ligands and their corresponding zinc chloride complexes (1–8) have been synthesized and well characterized by FT-IR, 1H and 13C NMR, elemental analysis and single-crystal X-ray diffraction analysis. It was found that zinc complexes (1–4) with 2,6-bis(imino)phenol ligands were inactive for the ring-opening polymerization (ROP)

  三齿2,6-双（亚氨基）苯酚（L1 - L4）和2,6-双（氨基）苯酚（L5 - L8）配体及其对应的氯化锌络合物（1 - 8）已被合成和通过FT充分表征-IR，1 H和13 C NMR，元素分析和单晶X射线衍射分析。据发现，锌络合物（1 - 4）与2,6-双（亚氨基）苯酚配体无活性的开环聚合ε己内酯（ROP）（ε-CL），即使它们是由甲基激活。锌络合物（5 – 8）与2,6-双（氨基）酚配体的结合被证明是与4当量结合使用的ε-CLROP的高效引发剂。甲基锂。研究了在不存在或存在苯甲醇的情况下ε-CL的ROP，包括单体比例，反应温度和配体中取代基的影响。分别通过NMR和MALDI-TOF质谱，DSC和TGA分析所得聚合物的结构和热性能。
• Manganese complexes with planar or tridimensional acyclic or cyclic Schiff base ligands
  作者：V. Peruzzo、S. Tamburini、P.A. Vigato

  DOI：10.1016/j.ica.2012.01.010

  日期：2012.5

  Abstract The coordination properties toward manganese(II) salts of a variety of [1 + 2], [2 + 1], [2 + 2] and [3 + 1] acyclic and cyclic ligands with different shapes and coordinating moieties have been studied. These ligands, obtained by condensation of suitable formyl- and primary amine precursors, give rise to mono- or dinuclear manganese(II) or manganese(III) complexes, characterized by elemental

  摘要研究了不同形状和配位部分的各种[1 + 2]，[2 + 1]，[2 + 2]和[3 +1]无环和环状配体对锰（II）盐的配位性能。这些配体是通过缩合合适的甲酰基和伯胺前体而获得的，生成单核或二核锰（II）或锰（III）配合物，其特征在于元素分析，红外光谱，ESI-MS光谱和X射线分析结构确定。特别是在[Mn（H 3 -L C2）（H 2 O）2]（Cl）（H 2 O）的结构中，平面的，可能成核的配体H 5 -L C2由[2 + 1]吡ido醛盐酸盐与1,3-二氨基-2-丙醇的缩合反应，中央八面体锰（III）离子位于[H 3 –LC2] 2-的N 2 O 2 Schiff碱部分中，它不作为隔间系统，因为中央酒精团不参与协调。在[Mn（H 3 -L A5）]·0.25H 2 O·CH 3 OH中，其中潜在的成核配体H 6 -LA5通过3-甲酰基水杨酸和三（氨基乙基）的[3 +1]缩合形成胺
• f,f Homodinuclear and d,f or f,f′ Heterodinuclear Complexes with a [2+2] Macrocyclic Compartmental Schiff Base
  作者：Sergio Tamburini、Valentina Peruzzo、Franco Benetollo、P. Alessandro Vigato

  DOI：10.1002/ejic.200901165

  日期：2010.4

  give the related f,f homodinuclear [Ln 2 (L)-(X) 2] and f,f' heterodinuclear [LnLn'(L)(X) 2 ] or d,f heterodinuclear [LnM(L)(X)] complexes. They have been characterized by ESEM-EDS, ESI-MS, and IR and 1 H and 13 C NMR spectroscopy. The X-ray single-crystal analysis of the [2+1] acyclic complex [Lu 2 (L') 2 ], derived from partial hydrolysis of the related [2+2] homodinuclear complex [Lu 2 (L)(Cl) 2 ]

  [2+2] 隔室大环复合物 [Ln(H 2 -L)-(NO 3 )]，其中 H 2 -L 是环状席夫碱，衍生自 2,6-二甲酰基-4-氯苯酚 ( H A ) 或 2,6-二甲酰基-4-甲基苯酚 (HL B ) 和 N,N-双(2-氨基乙基)-2-羟基苄胺·3HCl (HA'·3HCl)，包含一个游离的 N 3 0 3 配位室并且可以作为相同或不同镧系元素 (III) 离子和过渡金属 (II) 离子的配体，产生相关的 f,f 同双核 [Ln 2 (L)-(X) 2] 和 f,f'异双核 [LnLn'(L)(X) 2 ] 或 d,f 异双核 [LnM(L)(X)] 复合物。它们已通过 ESEM-EDS、ESI-MS、IR 和 1 H 和 13 C NMR 光谱进行表征。[2+1]无环配合物[Lu 2 (L') 2 ]的X射线单晶分析，
• Readily prepared inclusion forming chiral calixsalens
  作者：Agnieszka Janiak、Małgorzata Petryk、Leonard J. Barbour、Marcin Kwit

  DOI：10.1039/c5ob02090e

  日期：——

  Chiral, rigid vase-like calixsalens show unprecedented substituent-driven self-association and provide supermolecules of contrasting character.

  手性、刚性花瓶状卡利克赛伦表现出前所未有的取代基驱动的自组装，并提供具有对比特性的超分子。
• 1,3-benzenedimethanamines useful as central nervous system active agents
  申请人：Lilly Industries Limited

  公开号：US05428065A1

  公开（公告）日：1995-06-27

  Pharmaceutical compounds of the formula: ##STR1## R.sup.1 to R.sup.8 are each hydrogen or C.sub.1-4 alkyl, m, n and p are each 0, 1, or 2, q is 0, 1, 2 or 3, X and Z are each C.sub.1-4 alkyl, C.sub.1-4 alkoxy, hydroxy, nitro, cyano, halo, trihalomethyl, carboxy, C.sub.1-4 alkoxy-carbonyl or phenyl, and in addition z, together with the phenyl ring to which it is attached, can be: ##STR2## Y is --O--, --S-- or --CH.sub.2 --, V is --(CH.sub.2).sub.r -- or --(CH.sub.2).sub.r S-- where r is 1 to 15, and W is hydrogen or optionally substituted phenyl; and salts thereof.

  药物化合物的公式为：##STR1## R.sup.1到R.sup.8分别为氢或C.sub.1-4烷基，m、n和p分别为0、1或2，q为0、1、2或3，X和Z分别为C.sub.1-4烷基、C.sub.1-4烷氧基、羟基、硝基、氰基、卤素、三卤甲基、羧基、C.sub.1-4烷氧基羰基或苯基，另外z与连接它的苯环一起可以是：##STR2##Y为--O--、--S--或--CH.sub.2--，V为--(CH.sub.2).sub.r--或--(CH.sub.2).sub.r S--，其中r为1到15，W为氢或可选择取代的苯基；及其盐。