3,4-二氯-2-甲基苯胺 | 62077-25-2

• 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: 3,4-二氯-2-甲基苯胺
• 英文名称: 3,4-dichloro-2-methylaniline
• CAS: 62077-25-2
• 化学式: C₇H₇Cl₂N
• mdl: MFCD11855814
• 分子量: 176.045
• InChiKey: NMIWDZYCBUCFON-UHFFFAOYSA-N

物化性质

• 沸点：
  287.0±35.0 °C(Predicted)
• 密度：
  1.334±0.06 g/cm3(Predicted)

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

• 海关编码：
  2921430090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,4-Dichloro-2-methylaniline
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 3,4-Dichloro-2-methylaniline
CAS number: 62077-25-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H7Cl2N
Molecular weight: 176.0

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,4-二氯-2-甲基苯胺 在 盐酸 、 三乙胺 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 8.5h， 生成 ethyl 1-(3,4-dichloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  Discovery of Novel Inhibitors of Uridine Diphosphate-N-Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa, an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients

  摘要：

  DOI：

  10.1021/acs.jmedchem.1c01684
• 作为产物：
  描述：

  2,3-dichloro-6-nitrotoluene 在 盐酸 、 tin(ll) chloride 作用下， 生成 3,4-二氯-2-甲基苯胺
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents
  申请人：Bayer Corporation

  公开号：US06353006B1

  公开（公告）日：2002-03-05

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  这项发明涉及2-芳基亚胺杂环化合物，包括2-芳基亚胺-1,3-噻唑啉、2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪、2-芳基亚胺-1,3-噻唑啉-4-酮、2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这类治疗的药物组合物。
• [DE] VERFAHREN ZUR HERSTELLUNG VON ANAGRELID HYDROCHLORID<br/>[EN] METHOD FOR THE PRODUCTION OF ANAGRELIDE HYDROCHLORIDE<br/>[FR] PROCEDE POUR PRODUIRE DU CHLORHYDRATE D'ANAGRELIDE
  申请人：AOP ORPHAN PHARMACEUTICALS AG

  公开号：WO2005080398A1

  公开（公告）日：2005-09-01

  Ein Verfahren zur Herstellung von 6,7-Dichlor-1,5-dihydroimidazo[2,1-b]chinazolin-2(3H) ­on Hydrochlorid (Anagrelid Hydrochlorid) umfasst die folgenden Schritte: a) Nitrieren von 2,3-Dichlorbenzaldehyd, um 2,3-Dichlor-6-nitrobenzaldehyd zu bilden; b) Umsetzen von 2,3-Dichlor-6-nitrobenzaldehyd mit Hydroxylamin HCI und Essigsäureanhydrid unter Erhitzen, um 2,3-Dichlor-6-nitrobenzonitril zu bilden; c) Reduzieren der Nitrogruppe von 2,3-Dichlor-6-nitrobenzonitril, um 2,3-Dichlor-6­aminobenzonitril zu bilden; d) Reduzieren der Nitrigruppe von 2,3-Dichlor-6-aminobenzonitril, um 2,3-Dichlor-6 ­aminobenzylamindihydrochlorid zu bilden; e) Umsetzen von 2,3-Dichlor-6-aminobenzylamindihydrochlorid i) mit Bromessigsäureethylester, CH3CN, Triethylamin; und ii) mit BrCN, um (2-Amino-5,6-dichlor-4H-chinazolin-3-yl)essigsäureethylester zu bilden; f) Umsetzen von (2-Amino-5,6-dichlor-4H-chinazolin-3-yl)essigsäureethylester unter Cycloalkylierungsbedingungen, um 6,7-Dichlor-1,5-dihydroimidazo[2,1-b]chinazolin­2(3H)-on zu bilden; und g) Umsetzen von 6,7-Dichlor-1,5-dihydroimidazo[2,1-b]chinazolin-2(3H)-on mit HCI, um Anagrelid Hydrochlorid zu bilden.

  制备6,7-二氯-1,5-二氢咪唑[2,1-b]喹唑啉-2(3H)盐酸盐（盐酸阿那格雷利德）的方法包括以下步骤：a) 2,3-二氯苯甲醛的硝化，形成2,3-二氯-6-硝基苯甲醛；b) 将2,3-二氯-6-硝基苯甲醛与羟胺盐酸盐和乙酸酐在加热条件下反应，形成2,3-二氯-6-硝基苯甲腈；c) 还原2,3-二氯-6-硝基苯甲腈的硝基基团，形成2,3-二氯-6-氨基苯甲腈；d) 还原2,3-二氯-6-氨基苯甲腈的硝基基团，形成2,3-二氯-6-氨基苯甲酰胺二盐酸盐；e) 将2,3-二氯-6-氨基苯甲酰胺二盐酸盐i）与溴乙酸乙酯、CH3CN、三乙胺反应；和ii）与BrCN反应，形成(2-氨基-5,6-二氯-4H-喹唑啉-3-基)乙酸乙酯；f) 将(2-氨基-5,6-二氯-4H-喹唑啉-3-基)乙酸乙酯在环烷化条件下反应，形成6,7-二氯-1,5-二氢咪唑[2,1-b]喹唑啉-2(3H)盐酸盐；和g) 将6,7-二氯-1,5-二氢咪唑[2,1-b]喹唑啉-2(3H)盐酸盐与盐酸盐反应，形成盐酸阿那格雷利德。
• N-phenylpyrazole derivatives
  申请人：MAY & BAKER LIMITED

  公开号：EP0034945A2

  公开（公告）日：1981-09-02

  N-Phenylpyrazole derivatives of the formula:- (wherein each of R5 and R6 represents a C1-C4 alkyl or alkoxy radical, a trifluoromethyl, trifluoromethoxy, nitro, cyano or primary amino radical, or a fluorine, chlorine or bromine atom, each of R', R' and R9 represents a hydrogen atom, a C1-C4 alkyl or alkoxy radical, a trifluoromethyl, trifluoromethoxy, nitro, cyano or primary amino radical or a fluorine, chlorine or bromine atom, or R5, R7, R' and R9 each represents a hydrogen atom and R6 represents a trifluoromethoxy or trifluoromethyl radical, and R10 represents a cyano radical or substituted carbamoyl radical -CONHR", wherein R" represents a methyl or ethyl radical) have been found to possess useful herbicidal properties. All such N-phenylpyrazole derivatives with the exception of 5-amino-4-cyano-1-(2,4-dichlorophenyl)pyrazole and 5-amino-4-cyano-1- (4-chloro-2-methylphenyl)pyrazole are new compounds. Herbicidal compositions containing such N-phenylpyrazole derivatives are described and also processes for the prepararation of the new compounds.

  式中的 N-苯基吡唑衍生物 (其中R5和R6各自代表C1-C4烷基或烷氧基、三氟甲基、三氟甲氧基、硝基、氰基或伯氨基或氟、氯或溴原子，R'、R'和R9各自代表氢原子、C1-C4烷基或烷氧基、三氟甲基、三氟甲氧基、硝基、氰基或伯氨基或氟、R5、R7、R'和 R9 各代表一个氢原子，R6 代表三氟甲氧基或三氟甲基基，R10 代表氰基或取代的氨基甲酰基 -CONHR"，其中 R "代表甲基或乙基）已被发现具有有用的除草特性。除 5-氨基-4-氰基-1-（2,4-二氯苯基）吡唑和 5-氨基-4-氰基-1-（4-氯-2-甲基苯基）吡唑外，所有这些 N-苯基吡唑衍生物都是新化合物。本文介绍了含有此类 N-苯基吡唑衍生物的除草组合物，以及制备这些新化合物的工艺。
• Pharmaceutical compositions
  申请人：MERCK PATENT GmbH

  公开号：EP0056475A2

  公开（公告）日：1982-07-28

  Pharmaceutical compositions comprising thiazathiolium derivatives of the formula wherein stands for an aromatic or heteroaromatic system which may be substituted or unsubstituted and X⊖is OH ⊖ or an anion of a strong acid, are useful as antiallergic agents.

  包含式中噻唑硫醇衍生物的药物组合物 其中 代表芳香族或杂芳族体系，可被取代或未被取代 和 X⊖ 是 OH ⊖ 或强酸的阴离子，可用作抗过敏剂。
• N-Cyclopropylaniline und deren Verwendung in Verfahren zur Herstellung von 1-Cyclopropyl-chinoloncarbonsäuren und deren Derivaten
  申请人：BAYER AG

  公开号：EP0332033A2

  公开（公告）日：1989-09-13

  Die Erfindung betrifft N-Cyclopropylaniline der Formel (IV) in welcher R¹, X¹, X², X³, A, Z und R² die in der Beschrei­bung angegebene Bedeutung haben, die sich zur Herstellung von 4-Chinolon-3-carbonsäuren eignen, sowie Verfahren zur Herstellung von Chinoloncarbonsäurederivaten unter Verwen­dung der N-Cyclopropylaniline.

  本发明涉及式(IV)的 N-环丙基苯胺，其中 R¹、X¹、X²、X³、A、Z 和 R² 具有说明中给出的含义。 其中 R¹、X¹、X²、X³、A、Z 和 R² 具有说明中给出的含义，适用于制备 4-喹啉酮-3-羧酸，以及使用 N-环丙基苯胺制备喹啉酮羧酸衍生物的工艺。