N-(3,4-二氯苄基)-N-甲胺 | 5635-67-6

• 物质功能分类: 分析化学 - 对照品
• 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: N-(3,4-二氯苄基)-N-甲胺
• 中文别名: 3,4-二氯-N-甲基苯甲胺；3,4-二氯-N-甲基苄胺；N-甲基-3,4-二氯苄胺
• 英文名称: (3,4-dichlorobenzyl)(methyl)amine
• 英文别名: 1-(3,4-dichlorophenyl)-N-methylmethanamine；N-Methyl-3,4-dichlorobenzylamine
• CAS: 5635-67-6
• 化学式: C₈H₉Cl₂N
• mdl: MFCD00013624
• 分子量: 190.072
• InChiKey: XOEHPEYVNJXYEN-UHFFFAOYSA-N

物化性质

• 沸点：
  146 °C(Press: 47 Torr)
• 密度：
  1.226±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 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：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090
• 储存条件：
  避光、阴凉干燥处，密封保存。

SDS

Name:	N-(3 4-Dichlorobenzyl)-N-methylamine Material Safety Data Sheet
Synonym:	None Known
CAS:	5635-67-6

Section 1 - Chemical Product MSDS Name:N-(3 4-Dichlorobenzyl)-N-methylamine Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5635-67-6	N-(3,4-Dichlorobenzyl)-N-methylamine	97+	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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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 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
Use only with adequate ventilation.
Storage:
Store in a tightly closed container. Corrosives area. Store under an inert atmosphere.

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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# 5635-67-6: 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: Oil
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H9Cl2N
Molecular Weight: 190.07

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5635-67-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-(3,4-Dichlorobenzyl)-N-methylamine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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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
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 6 Keep under nitrogen.
S 23 Do not inhale gas/fumes/vapour/spray.
S 24 Avoid contact with skin.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 5635-67-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5635-67-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5635-67-6 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：

  N-(3,4-二氯苄基)-N-甲胺 在 盐酸 、 铁粉 、 三乙胺 作用下， 以 乙二醇乙醚 、 二甲基亚砜 为溶剂， 反应 3.0h， 生成 2,4-diamino-6-<(3,4-dichlorobenzyl)methylamino>pyrido<3,2-d>pyrimidine
  参考文献：
  名称：

  叶酸拮抗剂。21.2，4-二氨基-6-（苄基氨基）吡啶并[3，2-d]嘧啶的合成和抗疟性质。

  摘要：

  描述了一系列2,4,6-三氨基吡啶并[3,2-d]嘧啶（4）的合成及抗疟活性。与相应的喹唑啉类似物相比，几种6-取代的苄基甲基氨基类似物对小鼠中滋养体诱导的伯氏疟原虫的活性更高。但是，这些试剂对其他抗叶酸化合物具有交叉耐药性，因此作为人用试剂的潜力有限。

  DOI：

  10.1021/jm00380a018
• 作为产物：
  描述：

  2,4-二氯苯甲醛 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 potassium hydrogencarbonate 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 反应 2.0h， 生成 N-(3,4-二氯苄基)-N-甲胺
  参考文献：
  名称：

  Benzylamines: synthesis and evaluation of antimycobacterial properties

  摘要：

  The synthesis of benzylamines with various N-alkyl chains and substituents in the aromatic system as well as their evaluation on Mycobacterium tuberculosis H 37 Ra are described. The most active compounds in this test, N-methyl-3-chlorobenzylamine (19, MIC 10.2 micrograms/mL), N-methyl-3,5-dichlorobenzylamine (93, MIC 10.2 micrograms/mL), and N-butyl-3,5-difluorobenzylamine (103, MIC 6.4 micrograms/mL), also exhibited a marked inhibitory effect on Mycobacterium marinum and Mycobacterium lufu used for the determination of antileprotic properties. The combinations of 93 with aminosalicylic acid, streptomycin, or dapsone exert marked supra-additive effects on M. tuberculosis H 37 Ra.

  DOI：

  10.1021/jm00375a005

文献信息

• Microwave-Assisted Cu(I)-Catalyzed Synthesis of Unsymmetrical 1,4-Diamino-2-butynes via Cross-A³-Coupling/Decarboxylative A³-Coupling
  作者：Xianjun Xu、Huangdi Feng、Erik V. Van der Eycken

  DOI：10.1021/acs.joc.1c00537

  日期：2021.10.15

  properties. Here a highly efficient synthesis avenue to generate unsymmetric 1,4-diamino-2-butynes has been developed by microwave-assisted Cu(I)-catalyzed cross-A3-coupling/decarboxylative coupling of two different amines, formaldehyde, and propiolic acid through a domino process. This multicomponent reaction provides a series of target products in moderate to good yields with high chemoselectivity

  1,4-二氨基-2-丁炔显示出化学和生理特性。在这里，通过微波辅助 Cu(I) 催化的交叉 A 3 -偶联/脱羧偶联两种不同的胺、甲醛和丙炔酸，开发了一种生成不对称 1,4-二氨基-2-丁炔的高效合成途径通过多米诺骨牌过程。这种多组分反应以中等至良好的收率提供了一系列具有高化学选择性的目标产物。
• [EN] SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS<br/>[FR] SULFONAMIDES SUBSTITUÉS UTILES COMME INHIBITEURS DE BCL ANTI-APOPTOTIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012162365A1

  公开（公告）日：2012-11-29

  Disclosed are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein: W and Q and G are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bcl-2 family antiapoptotic proteins for the treatment of cancer; and pharmaceutical compositions comprising such compounds.

  揭示了式（I）的化合物或其药学上可接受的盐，其中：W、Q和G在此处被定义。还揭示了将这些化合物用作Bcl-2家族抗凋亡蛋白的抑制剂以治疗癌症的方法；以及包含这些化合物的药物组合物。
• CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Ameriks Michael K.

  公开号：US20080200454A1

  公开（公告）日：2008-08-21

  Carbon-linked tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  描述了与碳相连的四氢吡唑吡啶化合物，这些化合物可作为cathepsin S调节剂。这些化合物可用于制备药物组合物和治疗疾病状态、疾病和病况的方法，这些疾病状态、疾病和病况是由cathepsin S活性介导的，如银屑病、疼痛、多发性硬化症、动脉粥样硬化和类风湿性关节炎。
• Pyrimidine derivatives as ghrelin receptor modulators
  申请人：Kosogof Christi

  公开号：US20050070712A1

  公开（公告）日：2005-03-31

  The present invention is related to compounds of formula (I), or a therapeutically suitable salt or prodrug thereof, the preparation of the compounds, compositions containing the compounds and the use of the compounds in the prevention or treatment of disorders regulated by ghrelin including anorexia, cancer cachexia, eating disorders, age-related decline in body composition, weight gain, obesity, and diabetes mellitus.

  本发明涉及式(I)的化合物，或者其治疗上适宜的盐或前药，该化合物的制备、含有该化合物的组合物以及在预防或治疗由生长激素释放素调节的疾病中使用该化合物，包括厌食症、癌症恶病质、进食障碍、与年龄相关的身体组成下降、体重增加、肥胖和糖尿病。
• Diaryl piperidines as CB1 modulators
  申请人：Scott D. Jack

  公开号：US20070203183A1

  公开（公告）日：2007-08-30

  A compound having the general structure of Formula (I): or a pharmaceutically acceptable salt, solvate, or ester thereof, are useful in treating diseases, disorders, or conditions such as metabolic syndrome (e.g., obesity, waist circumference, lipid profile, and insulin sensitivity), neuroinflammatory disorders, cognitive disorders, psychosis, addictive behavior, gastrointestinal disorders, and cardiovascular conditions.

  具有通式（I）的一种化合物，或其药学上可接受的盐、溶剂合物或酯，可用于治疗代谢综合征（例如肥胖、腰围、脂质谱和胰岛素敏感性）、神经炎症性疾病、认知障碍、精神病、成瘾行为、胃肠道疾病和心血管疾病等疾病、疾病或症状。