5-甲基-2-硝基苄氯 | 66424-91-7

• 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: 5-甲基-2-硝基苄氯
• 中文别名: 5-甲基2-硝基苯甲酰氯
• 英文名称: 5-methyl-2-nitrobenzyl chloride
• 英文别名: 2-(chloromethyl)-4-methyl-1-nitrobenzene
• CAS: 66424-91-7
• 化学式: C₈H₈ClNO₂
• mdl: MFCD00007369
• 分子量: 185.61
• InChiKey: BWPZDLVOJNBEKI-UHFFFAOYSA-N

物化性质

• 熔点：
  41-43 °C (lit.)
• 沸点：
  292.3±25.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)
• 闪点：
  >230 °F
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2904909090
• 包装等级：
  III
• WGK Germany：
  3
• 危险品运输编号：
  UN 3261 8/PG 2
• 储存条件：
  存于阴凉干燥处

SDS

Name:	5-Methyl-2-Nitrobenzyl Chloride Material Safety Data Sheet
Synonym:	None known
CAS:	66424-91-7

Section 1 - Chemical Product MSDS Name:5-Methyl-2-Nitrobenzyl Chloride Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
66424-91-7	5-Methyl-2-Nitrobenzyl Chloride	ca 100	266-359-2

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Corrosive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns. Lachrymator (substance which increases the flow of tears).
May cause chemical conjunctivitis and corneal damage.
Skin:
May cause severe irritation and possible burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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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:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
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. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Cool containers with flooding quantities of water until well after fire is out. 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. Remove all sources of ignition. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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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# 66424-91-7: 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 minimize contact with skin.
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: tan
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 41.00 - 43.00 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.61

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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:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Amines, bases, oxidizing agents, moisture, alcohols, steel.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen oxides (NOx) and ammonia (NH3).
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 66424-91-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Methyl-2-Nitrobenzyl Chloride - 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
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II

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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 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
WGK (Water Danger/Protection)
CAS# 66424-91-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 66424-91-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 66424-91-7 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：

  5-甲基-2-硝基苄氯 在 镍 氢气 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 20.0h， 生成 N-(2-amino-5-methylbenzyl)-D-alanine ethyl ester
  参考文献：
  名称：

  Kienzle; Kaiser; Chodnekar, European Journal of Medicinal Chemistry, 1982, vol. 17, # 6, p. 547 - 556

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基-2-硝基苄醇 、 氯化亚砜 在 苯 、 ice water 作用下， 以 苯 为溶剂， 反应 18.0h， 生成 5-甲基-2-硝基苄氯
  参考文献：
  名称：

  5, 10-Dihydroimidazo[2,1-b]quinazolines and pharmaceutical compositions

  摘要：

  一种5,10-二氢咪唑并[2,1-b]喹唑啉，其中至少有一个环中的碳原子（除了2-位置上的碳原子）带有取代基，或其药学上可接受的酸加成盐是一种在心脏功能不全和血小板聚集抑制剂中有用的强心剂和血管扩张剂。

  公开号：

  US04372956A1

文献信息

• Insecticidal Benzenedicarboxamide Derivative
  申请人：Wada Katsuaki

  公开号：US20110184188A1

  公开（公告）日：2011-07-28

  The present invention relates to a novel benzenedicarboxamide derivative and the use thereof as an insecticide having the formula (I) wherein the chemical groups W 1 to W 9 , and R 1 to R 3 are as defined here-in.

  本发明涉及一种新型苯二甲酰胺衍生物及其作为杀虫剂的用途，其化学式为(I)，其中化学基团W1至W9，以及R1至R3如本文所定义。
• SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH
  申请人：Luzzio Michael Joseph

  公开号：US20090054395A1

  公开（公告）日：2009-02-26

  The present invention relates to a compound of the formula I wherein R 1 to R 6 , A, B, n and m are as defined herein. Such novel sulfonyl amide derivatives are useful in the treatment of abnormal cell growth, such as cancer, in mammals. This invention also relates to a method of using such compounds in the treatment of abnormal cell growth in mammals, especially humans, and to pharmaceutical compositions containing such compounds.

  本发明涉及一种具有以下式I的化合物 其中R 1 至R 6 ，A，B，n和m如本文所定义。这种新型磺酰胺衍生物在治疗哺乳动物（如癌症）中的异常细胞生长方面是有用的。本发明还涉及一种在治疗哺乳动物（尤其是人类）中的异常细胞生长中使用这种化合物的方法，以及含有这种化合物的药物组合物。
• Alpha-helical mimetics
  申请人：Lessene Guillaume Laurent

  公开号：US20080153802A1

  公开（公告）日：2008-06-26

  Benzoyl urea derivatives that are alpha helical peptides mimetics that mimic BH3-only proteins, compositions containing them, their conjugation to cell-targeting-moieties, and their use in the regulation of cell death are disclosed. The benzoyl urea derivatives are capable of binding to and neutralizing pro-survival Bcl-2 proteins. Use of benzoyl urea derivatives in the treatment and/or prophylaxis of diseases or conditions associated with deregulation of cell death are also described.

  公开了模拟α螺旋肽的苯甲酰脲衍生物，这些衍生物模拟BH3-仅蛋白，含有它们的组合物，它们与细胞靶向基团的结合，以及它们在调节细胞死亡中的用途。苯甲酰脲衍生物能够结合并中和促生存的Bcl-2蛋白。还描述了在治疗和/或预防与细胞死亡失调相关的疾病或症状中使用苯甲酰脲衍生物。
• Synthesis, biological activity and structure–activity relationship of 4,5-dimethoxybenzene derivatives inhibitor of rhinovirus 14 infection
  作者：Manon Roche、Céline Lacroix、Omar Khoumeri、David Franco、Johan Neyts、Thierry Terme、Pieter Leyssen、Patrice Vanelle

  DOI：10.1016/j.ejmech.2014.01.034

  日期：2014.4

  of 99 structural analogues were synthesized by an original synthesis method, i.e. through one organic agent Tetrakis(DimethylAmino)Ethylene (TDAE) and a structure–activity relationship was established. It was shown that 4,5-dimethoxy scaffold and the presence of a C-4 substituted aromatic moiety were necessary to the in vitro activity of these original agents. However, modifications on liker were not

  人鼻病毒是呼吸道感染的常见原因，因此构成药物化学的重要目标。仍然没有药物被批准用于临床。我们在此报告了具有有效和特异性的体外抗鼻病毒14活性的二苯甲酸酯衍生物的发现。通过一种原始的合成方法，即通过一种有机试剂四（二甲基氨基）乙烯（TDAE），合成了总共99个结构类似物，并建立了结构-活性关系。结果表明，4,5-二甲氧基支架和C-4取代的芳族部分的存在对于这些原始药物的体外活性是必需的。但是，对喜欢者的修改并不令人信服。苄腈衍生物23被鉴定为这些系列中鼻病毒复制最有效和选择性最强的抑制剂（EC 50为2±0.5μM，CC 50为184μM，选择性指数为92）。
• Benzodiazepine derivatives
  申请人：AJINOMOTO CO. INC

  公开号：US20030186969A1

  公开（公告）日：2003-10-02

  The present invention provides benzodiazepine derivatives of the following formula, analogs thereof and pharmaceutically acceptable salts thereof. The compounds of the present invention have an excellent effect of inhibiting activated blood-coagulation factor X. These compounds are usable as agents for treating various diseases concerned with the activated blood-coagulation factor X. 1

  本发明提供了以下结构的苯二氮卓类衍生物及其类似物和药学上可接受的盐。本发明的化合物具有优异的抑制活化血凝因子X的效果。这些化合物可用作治疗与活化血凝因子X有关的各种疾病的药剂。