3,4-二氯-2,6-二硝基甲苯 | 53278-85-6

• 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-2,6-二硝基甲苯
• 英文名称: 1,2-dichloro-4-methyl-3,5-dinitro-benzene
• 英文别名: 3,4-dichloro-2,6-dinitro-toluene；3,4-Dichlor-2,6-dinitro-toluol；1,2-dichloro-4-methyl 3,5-dinitrobenzene；3,4-dichloro-2,6-dinitrotoluene；1,2-Dichlor-3,5-dinitro-4-methyl-benzol；1,2-Dichloro-4-methyl-3,5-dinitrobenzene
• CAS: 53278-85-6
• 化学式: C₇H₄Cl₂N₂O₄
• 分子量: 251.026
• InChiKey: BIHKGLGGTMRFRS-UHFFFAOYSA-N

物化性质

• 熔点：
  92 °C
• 沸点：
  325.9±37.0 °C(Predicted)
• 密度：
  1.637±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2904909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,4-Dichloro-2,6-dinitrotoluene
Synonyms: 1,2-Dichloro-4-methyl-3,5-dinitrobenzene

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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-2,6-dinitrotoluene
CAS number: 53278-85-6

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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: C7H4Cl2N2O4
Molecular weight: 251.0

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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-2,6-二硝基甲苯 在 氨 作用下， 生成 6-chloro-3-methyl-2,4-dinitro-aniline
  参考文献：
  名称：

  Joshi; Gupta, Journal of the Indian Chemical Society, 1959, vol. 36, p. 329,333

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-2-硝基苯胺 在 硫酸 、 硝酸 作用下， 生成 3,4-二氯-2,6-二硝基甲苯
  参考文献：
  名称：

  Cohen; Dakin, Journal of the Chemical Society, 1901, vol. 79, p. 1133

  摘要：

  DOI：

文献信息

• Keratinous fiber dyeing methods and compositions which contain sulfated
  申请人：L'Oreal

  公开号：US05534036A1

  公开（公告）日：1996-07-09

  The present invention provides compositions of sulfated metaphenylenediamines for dyeing keratinous fibers and methods for their use.

  本发明提供了用于染色角蛋白纤维的磺化间苯二胺组合物以及其使用方法。
• Process for the preparation of optionally p-chlorine-substituted
  申请人：Bayer Aktiengesellschaft

  公开号：US04426538A1

  公开（公告）日：1984-01-17

  The invention relates to a process for the preparation of optionally p-chlorine-substituted 2,6-diaminotoluene, which is characterized in that 3,4-dichlorotoluene is dinitrated in the presence of an inert, water-immiscible, organic solvent and/or diluent at temperatures of -10.degree. to +100.degree. C. and is subsequently reduced, optionally after intermediate isolation of the dinitro compound, in the presence of an inert organic solvent and/or diluent and/or of water, with partial or complete splitting-off of the chlorine atoms, to give the diamino compound. 2,6-Diaminotoluenes are valuable intermediates for the preparation of diisocyanates and polyurethanes; the 2,6-diaminotoluene is furthermore used for the preparation of dyestuffs and antioxidants.

  本发明涉及一种制备可选取代p-氯的2,6-二氨基甲苯的方法，其特征在于在惰性、不溶于水的有机溶剂和/或稀释剂的存在下，以-10℃至+100℃的温度下使3,4-二氯甲苯二硝化，然后在惰性有机溶剂和/或稀释剂和/或水的存在下，部分或完全脱离氯原子的情况下还原，以得到二氨基化合物。2,6-二氨基甲苯是制备二异氰酸酯和聚氨酯的有价值的中间体；此外，2,6-二氨基甲苯还用于染料和抗氧化剂的制备。
• Verfahren zur Herstellung von gegebenenfalls p-chlor-substituiertem 2,6-Diaminotoluol
  申请人：BAYER AG

  公开号：EP0057871A2

  公开（公告）日：1982-08-18

  Die Erfindung betrifft ein Verfahren zur Herstellung von gegebenenfalls p-chlorsubstituiertem 2,6-Diaminotoluol, das dadurch gekennzeichnet ist, daß man 3,4-Dichlortoluol in Gegenwart eines inerten, mit Wasser nicht mischbaren, organischen Lösungs- und/oder Verdünnungsmittels bei Temperaturen von -10 bis +100°C dinitriert und anschließend, gegebenenfalls nach Zwischenisolierung der Dinitroverbindung, unter teilweiser oder vollständiger Abspaltung der Chloratome in Gegenwart eines inerten organischen Lösungs- und/oder Verdünnungsmittels und/oder Wasser zur Diaminoverbindung reduziert. 2,6-Diamino-toluole sind wertvolle Zwischenprodukte für die Herstellung von Diisocyanaten bzw. Polyurethanen; das 2,6-Diaminotoluol wird außerdem für die Herstellung von Farbstoffen und Antioxidantien verwendet.

  本发明涉及一种可选对氯取代的 2,6-二氨基甲苯的制备工艺，其特征在于 3,4-二氯甲苯在惰性、不溶于水的有机溶剂和/或稀释剂存在下，于 -10 至 +100°C 的温度下进行二硝化，然后，可选在中间分离出二硝基化合物后，在惰性有机溶剂和/或稀释剂和/或水存在下，通过部分或完全消除氯原子还原成二氨基化合物、必要时，在中间体分离二硝基化合物后，在惰性有机溶剂和/或稀释剂和/或水的存在 下，还原成二氨基化合物，并部分或完全消除氯原子。 2,6-二氨基甲苯是生产二异氰酸酯或聚氨酯的重要中间体；2,6-二氨基甲苯还可用于生产染料和抗氧化剂。
• Utilisation en teinture des fibres kératiniques de métaphénylènediamines soufrées et nouvelles métaphénylènediamines soufrées
  申请人：L'OREAL

  公开号：EP0591059A1

  公开（公告）日：1994-04-06

  L'invention est relative à l'utilisation pour la teinture des fibres kératiniques d'au moins une métaphénylènediamine soufrée de formule générale : dans laquelle, Z est alkyle, aralkyle, monohydroxyalkyle, polyhydroxyalkyle, aryle, aminoalkyle, fluoroalkyle; R₁ et R₂, identiques ou différents, sont hydrogène, alkyle, monohydroxyalkyle, polyhydroxyalkyle, monocarbamylalkyle, dialkylcarbamyle, aminoalkyle, acylaminoalkyle, carbalcoxyalkyle, carbamyle, monoalkylcarbamyle, fluoroalkyle; R₃ est hydrogène, alkyle, R₄ et R₅ identiques ou différents, sont hydrogène, halogène, alcoxy, hydroxyalkyle, -SZ, Z ayant les significations ci-desus; ainsi que les sels d'acides correspondants, au moins un des R₃, R₄ ou R₅ est différent d'hydrogène L'invention est également relative à une composition tinctoriale, un procédé de teinture et à de nouvelles métaphénylènediamines soufrées.

  本发明涉及至少一种通式为...的含硫偏苯二胺的用途： 其中 Z 是烷基、芳基、单羟基烷基、多羟基烷基、芳基、氨基烷基、氟烷基； 相同或不同的 R₁ 和 R₂ 是氢、烷基、单羟基烷基、多羟基烷基、单氨 基烷基、二氨基羰基、氨基烷基、酰氨基烷基、碳氧烷基、羰基、单氨 基羰基、氟烷基； R₃ 是氢、烷基，R₄ 和 R₅（可以相同或不同）是氢、卤素、烷氧基、羟烷基、-SZ，Z 具有上述含义；以及相应的酸盐，R₃、R₄ 或 R₅ 中至少有一个不是氢。 本发明还涉及一种染色组合物、一种染色工艺和新型硫偏苯二胺。
• Gupta; Rani, Journal of the Indian Chemical Society, 1978, vol. 55, # 5, p. 483 - 485
  作者：Gupta、Rani

  DOI：——

  日期：——