2,6-二氯间甲苯胺 | 64063-37-2

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 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: 2,6-二氯间甲苯胺
• 中文别名: 2,6-二氯-3-甲基苯胺；2,6-二氯对三氟甲基苯胺
• 英文名称: 2,6-dichloro-3-methylaniline
• 英文别名: 2,6-dichloro-3-methylphenylamine
• CAS: 64063-37-2
• 化学式: C₇H₇Cl₂N
• mdl: MFCD00007676
• 分子量: 176.045
• InChiKey: AYVZXDFCFQSWJD-UHFFFAOYSA-N

物化性质

• 熔点：
  37-40 °C
• 沸点：
  0°C
• 密度：
  1.3789 (rough estimate)
• 闪点：
  0°C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 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)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S37/39
• 危险类别码：
  R22,R36/37/38
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	2 6-Dichloro-3-Methylaniline 99+% Material Safety Data Sheet
Synonym:	None known
CAS:	64063-37-2

Section 1 - Chemical Product MSDS Name:2 6-Dichloro-3-Methylaniline 99+% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64063-37-2	2,6-Dichloro-3-Methylaniline	>99	264-649-3

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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.
Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood. Overexposure may cause methemoglobinemia.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown blood. Inhalation of aniline causes anoxia due to the formation of methemoglobin.
Chronic:
May cause methemoglobinemia, which is characterized by chocolate-brown colored blood, headache, weakness, dizziness, breath shortness, cyanosis (bluish skin due to deficient oxygenation of blood), rapid heart rate, unconsciousness and possible death.

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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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood.
Antidote: Methylene blue, alone or in combination with oxygen is indicated as a treatment in nitrite induced methemoglobinemia.

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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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. 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# 64063-37-2: 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: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 37.00 - 39.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula: C7H7Cl2N
Molecular Weight: 176.04

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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, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 64063-37-2 unlisted.
LD50/LC50:
Not available.
Not available.
Carcinogenicity:
2,6-Dichloro-3-Methylaniline - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 64063-37-2: No information available.
Canada
CAS# 64063-37-2 is listed on Canada's NDSL List.
CAS# 64063-37-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64063-37-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

2,6-二氯-3-甲基苯胺可用作有机合成中间体和医药中间体，主要用于实验室研发过程和医药化工生产过程中。其化学性质表现为针状结晶（乙醇），熔点为37-39℃，闪点超过110℃。此外，它还是甲氯灭酸的中间体。

反应信息

• 作为反应物：
  描述：

  2,6-二氯间甲苯胺 在 盐酸 、 硫酸 、 硝酸 、 sodium nitrite 作用下， 生成 2,3,4-trichloro-5,6-dinitro-toluene
  参考文献：
  名称：

  Brimelow et al., Journal of the Chemical Society, 1951, p. 1208,1212

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲基苯胺 在 palladium on activated charcoal 盐酸 、 甲烷磺酸 、 sodium formate 、 氯 作用下， 以 四氯化碳 、 乙醇 、 溶剂黄146 、 乙腈 为溶剂， 反应 24.0h， 生成 2,6-二氯间甲苯胺
  参考文献：
  名称：

  Synthesis of 2,6-disubstituted and 2,3,6-trisubstituted anilines

  摘要：

  A number of 2,6-disubstituted and 2,3,6-trisubstituted anilines have been prepared via the selective para dehalogenation of the corresponding anilines. Modification of the substituents on the amino nitrogen demonstrates that the selectivity is derived from steric rather than electronic effects. The effects of the choice of formate hydrogen donor, Pd catalyst, solvent, and temperature upon the efficiency and selectivity of the dehalogenation are discussed.

  DOI：

  10.1016/s0040-4020(01)80400-2

文献信息

• Acetamides and benzamides that are useful in treating sexual dysfunction
  申请人：——

  公开号：US20040029887A1

  公开（公告）日：2004-02-12

  The present invention relates to the use of compounds of formula (I) 1 for the treatment of sexual dysfunction and to compositions containing compounds of formula (I) for the treatment of sexual dysfunction.

  本发明涉及使用式(I)的化合物治疗性功能障碍，以及含有式(I)化合物的组合物用于治疗性功能障碍。
• Drugs for diabetes
  申请人：——

  公开号：US20040023890A1

  公开（公告）日：2004-02-05

  Use for the diabetes treatment of compounds or salts thereof, having the following general formula (I): A-(B) b0 —(C) c0 —NO 2 wherein A contains the radical of a drug having an antiiflammatory or analgesic activity, B is a bivalen: linking group wherein the precursor must meet the tests described in the application, C is a a bivalent linking group as defined in the invention.

  用于治疗糖尿病的化合物或其盐，具有如下通用公式（I）：A-(B) b0 —(C) c0 —NO 2 其中A含有具有抗炎或镇痛活性的药物的自由基，B是一个双价连接基团，其中前体必须符合本申请中描述的测试，C是如发明中定义的双价连接基团。
• Enantioenriched Positive Allosteric Modulators Display Distinct Pharmacology at the Dopamine D1 Receptor
  作者：Tim J. Fyfe、Peter J. Scammells、J. Robert Lane、Ben Capuano

  DOI：10.3390/molecules26133799

  日期：——

  4-dimethyldihydrofuran-2(3H)-one (d- and l-pantolactone, respectively); (3) Results: We confirm both the racemate and enantiomers of 2 are active and selective for the D1R, but that the respective stereoisomers show a significant difference in their affinity and magnitude of positive allosteric cooperativity with dopamine; (4) Conclusions: These data warrant further investigation of asymmetric syntheses of optically

  (1) 背景：通过高通量筛选鉴定了两种一流的外消旋多巴胺 D 1受体 (D 1 R) 正变构调节剂 (PAM) 化学型（1和2）。特别是，由于其对 D 1 R 的选择性和报告缺乏内在活性，化合物2显示出作为开发小分子变构调节剂以改善与某些神经精神疾病状态相关的认知缺陷的起点；（2）方法：在本文中，我们描述的光学异构体的enantioenrichment 2使用从（衍生的手性助剂- [R ）-和（小号)-3-羟基-4,4-二甲基二氢呋喃-2( 3H )-酮（分别为d-和l-泛内酯）；（3）结果：我们确认两个外消旋体和对映体2是活性和选择性为d 1 R，但是，相应的立体异构体显示出它们的亲合性和与多巴胺正变构协同的幅度的差异显著; (4) 结论：这些数据保证了对2的光学纯类似物的不对称合成的进一步研究，以开发具有优异变构特性的 D 1 R PAM。
• Substituted Pyrimidine and Triazine Compounds
  申请人：Schunk Stefan

  公开号：US20100173889A1

  公开（公告）日：2010-07-08

  Substituted pyrimidine and triazine compounds corresponding to formula I wherein R 1 , R 2 , R 3 , R 4a , R 4b , R 5a , R 5b , R 7 , R 8 , R 9a , R 9b , R 10 , R 11 , A, a, b, s, t, V, W 1 , W 2 and W 3 have defined meanings, pharmaceutical compositions comprising such compounds, a process for preparing such compounds, and the use of such compounds and compositions to treat or inhibit pain and/or other disorders or disease states.

  将对应于公式I的嘧啶和三嗪化合物替代为R1、R2、R3、R4a、R4b、R5a、R5b、R7、R8、R9a、R9b、R10、R11、A、a、b、s、t、V、W1、W2和W3具有定义意义，包括这种化合物的药物组合物、制备这种化合物的过程，以及使用这种化合物和组合物来治疗或抑制疼痛和/或其他疾病状态的专利。
• Herbicidal heterocyclic sulfonamides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04761173A1

  公开（公告）日：1988-08-02

  Substituted heterocyclic sulfonamides having herbicidal activity and agriculturally useful compositions comprising such compounds.

  具有除草活性的取代杂环磺胺类化合物及包含这些化合物的农业有用组合物。

表征谱图