5-氯-N-甲基-2-硝基苯胺 | 35966-84-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硝基化合物
• 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-氯-N-甲基-2-硝基苯胺
• 中文别名: 5-氯-2-硝基-N-甲基苯胺
• 英文名称: 4-chloro-2-methylaminonitrobenzene
• 英文别名: 5-chloro-N-methyl-2-nitroaniline；N-methyl-5-chloro-2-nitroaniline；(5-chloro-2-nitrophenyl)-methylamine
• CAS: 35966-84-8
• 化学式: C₇H₇ClN₂O₂
• mdl: MFCD00143455
• 分子量: 186.598
• InChiKey: YWJPRGWHZDSXML-UHFFFAOYSA-N

物化性质

• 熔点：
  104-107 °C
• 密度：
  1.4800 (rough 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)：
  3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S38
• 危险类别码：
  R22
• 海关编码：
  2921430090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P273,P280,P301+P310,P311
• 危险品运输编号：
  2811
• 危险性描述：
  H301+H311+H331,H373,H411
• 储存条件：
  存放于阴凉干燥处

SDS

Name:	5-Chloro-N-Methyl-2-Nitrobenzenamine 99% Material Safety Data Sheet
Synonym:	None known
CAS:	35966-84-8

Section 1 - Chemical Product MSDS Name:5-Chloro-N-Methyl-2-Nitrobenzenamine 99% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35966-84-8	5-Chloro-N-Methyl-2-Nitrobenzenamine	99	unlisted

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful 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# 35966-84-8: 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: yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 130.00 - 132.00 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: 0.03 g/l (20 c)
Specific Gravity/Density:
Molecular Formula: C7H7ClN2O2
Molecular Weight: 186.60

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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.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 35966-84-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Chloro-N-Methyl-2-Nitrobenzenamine - 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 22 Harmful if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 28B After contact with skin, wash immediately with
plenty of water and soap.
S 37 Wear suitable gloves.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
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# 35966-84-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35966-84-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35966-84-8 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-氯-N-甲基-2-硝基苯胺 在 吡啶 、 tin(II) chloride dihdyrate 、 4,5-二氯-1,2,3-二噻唑氯化物 作用下， 以 乙酸乙酯 为溶剂， 反应 20.0h， 生成 6-氯-1-甲基-1H-苯并咪唑-2-甲腈
  参考文献：
  名称：

  发现选择性片段大小的免疫蛋白酶体抑制剂

  摘要：

  蛋白酶体有助于维持蛋白质稳态，其抑制作用对某些类型的癌症和自身免疫疾病有益。然而，对健康细胞中蛋白酶体的抑制会导致不希望有的副作用，并且已经做出重大努力来鉴定对免疫蛋白酶体具有特异性的抑制剂，特别是用于治疗表现出该蛋白酶体同种型的水平和活性增加的疾病。在这里，我们报告了我们为发现人类免疫蛋白酶体的片段大小抑制剂所做的努力。内部结构多样化片段文库的筛选导致苯并[ d ]恶唑-2(3 H )-硫酮、苯并[ d ]噻唑-2(3 H )-硫酮、苯并[ d ]恶唑-2(3 H )-硫酮的鉴定]咪唑-2(3 H )-硫酮和 1-甲基苯并[ d ]咪唑-2(3 H )-硫酮（通用术语苯并恶唑-2（3 H）)-硫酮) 作为免疫蛋白酶体胰凝乳蛋白酶样 (β5i) 亚基的抑制剂。随后的构效关系研究为我们提供了有关生长载体的见解。显示了与 β5i 亚基的结合，并确定了对组成型蛋白酶体的 β5 亚基的选择性。对这些化合物的彻底表征表明，它们通过与

  DOI：

  10.1016/j.ejmech.2021.113455
• 作为产物：
  描述：

  2,6-二氯-3-硝基苯甲酸 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 5-氯-N-甲基-2-硝基苯胺
  参考文献：
  名称：

  Romanowski, Jacek; Eckstein, Zygmunt, Polish Journal of Chemistry, 1984, vol. 58, # 1-3, p. 263 - 268

  摘要：

  DOI：

文献信息

• Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators
  申请人：Egle Ian

  公开号：US20090192169A1

  公开（公告）日：2009-07-30

  Compounds of Formula I: wherein A, B, D, L, R 1 , R 2 , R 3 , R 4 , m, and n are as defined for Formula I in the description. The invention also relates to processes for the preparation of the compounds and to new intermediates employed in the preparation, pharmaceutical compositions containing the compounds, and to the use of the compounds in therapy.

  式I的化合物： 其中A、B、D、L、R1、R2、R3、R4、m和n的定义如描述中所定义。本发明还涉及制备这些化合物的方法，以及用于制备的新中间体，含有这些化合物的药物组合物，以及这些化合物在治疗中的应用。
• [EN] TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS DE DÉGRADATION DE RÉCEPTEURS À ACTIVITÉ KINASE LIÉS À LA TROPOMYOSINE (TRK) ET MÉTHODES D'UTILISATION
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2021170109A1

  公开（公告）日：2021-09-02

  This disclosure relates to bivalent compounds (e.g., bi-functional small molecule compounds), compositions comprising one or more of the bivalent compounds, and to methods of use the bivalent compounds for the treatment of certain disease in a subject in need thereof. The disclosure also relates to methods for identifying such bivalent compounds.

  这份披露涉及双价化合物（例如，双功能小分子化合物），包含一种或多种双价化合物的组合物，以及利用这些双价化合物治疗患有特定疾病的受试者的方法。该披露还涉及识别此类双价化合物的方法。
• [EN] RADIOPROTECTOR COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS RADIOPROTECTEURS ET PROCÉDÉS CORRESPONDANTS
  申请人：PETER MACCALLUM CANCER INST

  公开号：WO2011123890A1

  公开（公告）日：2011-10-13

  The invention relates to novel compounds, processes for their preparation and their use in protecting biological materials from radiation damage (radioprotection). Preferred compounds of the invention are those of Formula (II), as follows: wherein W represents -N(R1R2) where R1 and R2 are not both hydrogen and where they may together form a 5, 6 or 7 membered ring structure, -NHN(R1R2), NHR3N(R1R2), -NHR3OR2, -N(R3)R3OR2, -N(R1)R3OR3OR3, OR3NR1R2, -OR3 or W represents piperidyl, piperazinyl, morpholinyl, thiomorpholinyl or diazepanyl each of which may be optionally substituted by C1 to C4 alkyl, C2 to C4 alkenyl, -N(CO)N(R1R2), -N(CO)OR1, -N(CO)OR3OH, -(CO)NR1R2, -R3(CO)NR1R2, -R3OR1, -OR1, -N(R1R2) OR -NH-; R1 and R2 are the or different and are selected from hydrogen, C1 to C4 alkyl or C2 to C4 alkenyl; group or chain; Z is the same or different and represents N or CH; Z' is the same or different and represents N or C; X represents CH, N or NH, where ⃜⃜ is a double bond when X is CH or N and a single bond when X is NH; X' represents N or NH, wherein when X is CH or N X' is NH and wherein X and X' are different and further where ≃≃≃is a double bond when X' is N and a single bond when X' is NH; Q represents H, alkoxyl, -NR1R2, F or Cl; Q1 is absent when Z' is N and when Z' is C it represents H, alkoxyl, -NR1R2, F or Cl; A represents a five to ten membered single or multiple ring structure with heterocyclic N or O located at the ortho position, said ring including optional double bonds, substitutions and/or other heteroatoms and pharmaceutically acceptable derivatives thereof.

  该发明涉及新化合物、其制备方法以及它们在保护生物材料免受辐射损伤（辐射防护）方面的用途。该发明的优选化合物为以下式（II）的化合物：其中W代表-N（R1R2），其中R1和R2不同时为氢，它们可以共同形成一个5、6或7元环结构，-NHN（R1R2）、NHR3N（R1R2）、-NHR3OR2、-N（R3）R3OR2、-N（R1）R3OR3OR3、OR3NR1R2、-OR3或W代表哌啶基、哌嗪基、吗啉基、硫代吗啉基或二氮杂环庚烷基，每种基可能被C1至C4烷基、C2至C4烯基、-N（CO）N（R1R2）、-N（CO）OR1、-N（CO）OR3OH、-（CO）NR1R2、-R3（CO）NR1R2、-R3OR1、-OR1、-N（R1R2）或-NH-取代；R1和R2相同或不同，选自氢、C1至C4烷基或C2至C4烯基；Z相同或不同，代表N或CH；Z'相同或不同，代表N或C；X代表CH、N或NH，其中当X为CH或N时为双键，当X为NH时为单键；X'代表N或NH，其中当X为CH或N时X'为NH，且X和X'不同，进一步当X'为N时为双键，当X'为NH时为单键；Q代表H、烷氧基、-NR1R2、F或Cl；当Z'为N时Q1不存在，当Z'为C时，Q1代表H、烷氧基、-NR1R2、F或Cl；A代表一个含有杂环N或O的五至十元单环或多环结构，位于邻位，该环包括可选的双键、取代基和/或其他杂原子及其药用可接受的衍生物。
• [EN] 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF<br/>[FR] DÉRIVÉS DE 4-AMINOBUT-2-ENAMIDE ET SELS DE CES DERNIERS
  申请人：TAIHO PHARMACEUTICAL CO LTD

  公开号：WO2021085653A1

  公开（公告）日：2021-05-06

  The present invention provides an antitumor agent comprising a compound or a pharmaceutically acceptable salt thereof that covalently binds to GTP-bound KRASG12C as an active ingredient.

  本发明提供了一种抗肿瘤药剂，包括一种与GTP结合的KRASG12C的化合物或其药用可接受的盐作为活性成分。
• [EN] INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES<br/>[FR] INHIBITEURS DES KINASES RÉCEPTRICES DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：KINNATE BIOPHARMA INC

  公开号：WO2021247969A1

  公开（公告）日：2021-12-09

  Provided herein are heteroaryl inhibitors of fibroblast growth factor receptor kinases, pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases.

  提供了一种杂芳基的成纤维细胞生长因子受体激酶抑制剂，包括所述化合物的药物组合物，以及使用所述化合物治疗疾病的方法。