4-氯-5-氨基邻甲酚 | 110102-86-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-氯-5-氨基邻甲酚
• 中文别名: 5-氨基-4-氯-2-甲基苯酚；5-氨基-4-氯-O-甲酚；5-氨基-4-氯邻甲酚；2-甲基-4-氯-5-氨基苯酚；4-氯-5-氨基-2-甲基苯酚
• 英文名称: 5-amino-4-chloro-2-methyl-phenol
• 英文别名: 5-Amino-4-chloro-2-methylphenol
• CAS: 110102-86-8
• 化学式: C₇H₈ClNO
• mdl: MFCD09744010
• 分子量: 157.6
• InChiKey: WDQMXRWYXILWPT-UHFFFAOYSA-N

物化性质

• 沸点：
  289°C
• 密度：
  1.331
• 闪点：
  128°C

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 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：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Amino-4-chloro-2-methylphenol
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: 5-Amino-4-chloro-2-methylphenol
CAS number: 110102-86-8

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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: C7H8ClNO
Molecular weight: 157.6

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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：

  4-氯-5-氨基邻甲酚 在 palladium diacetate 、 sodium hydride 、 potassium carbonate 、 sodium t-butanolate 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 73.0h， 生成 9-benzyl-2-(benzyloxy)-6-methoxy-3-methyl-9H-carbazole
  参考文献：
  名称：

  对映选择性钒催化的氧化偶联：发展和机制的见解。

  摘要：

  据报道，用于苯酚的对映选择性氧化偶合反应的反应性更强的手性钒催化剂的发展，最终导致与布朗斯台德或路易斯酸添加剂结合的简单单体钒物种。发现所生成的钒配合物会影响不对称氧化邻位-邻位简单的酚和2-羟基咔唑的对映选择性良好至极好。该机理的实验和量子力学研究表明，添加剂使钒单体聚集。另外，在碳-碳键形成之前，涉及单重态到三重态的交叉。导致对映体产物的两个最低能量的非对映体过渡态在涉及较小的对映体的路径上有很大不同，所述较小的对映体在两个酚部分之间具有较大的扭转应变。

  DOI：

  10.1021/acs.joc.8b02083
• 作为产物：
  描述：

  4-氨基-5-氯-2-甲氧基苯甲酸 在 三溴化硼 作用下， 以 二氯甲烷 、 氯苯 为溶剂， 反应 21.0h， 生成 4-氯-5-氨基邻甲酚
  参考文献：
  名称：

  苯酚和羟基咔唑的不对称氧化偶联

  摘要：

  概述了简单酚和 2-羟基咔唑的不对称氧化偶联的第一个例子。通过配体设计和添加外源布朗斯特酸或路易斯酸生成更多钒的催化剂被发现是偶联更具抗氧化性的酚的关键。所得的钒络合物具有更强的路易斯酸性和更强的氧化性。可以获得良好至优异的对映选择性，并且简单的研磨即可轻松提供≥95% ee 的产品。

  DOI：

  10.1021/acs.orglett.7b02552

文献信息

• [EN] NEW CATIONIC DYES, KITS AND COMPOSITIONS THEREOF, AND PROCESS FOR DYEING KERATIN FIBERS<br/>[FR] NOUVEAUX COLORANTS CATIONIQUES, KITS ET COMPOSITIONS LES CONTENANT, ET PROCÉDÉ DE TEINTURE DE FIBRES KÉRATINIQUES
  申请人：ALFA PARF GROUP S P A

  公开号：WO2014202150A1

  公开（公告）日：2014-12-24

  The present invention relates to new cationic dyes of general formula (I) and (II): The invention also relates to kits and compositions for dyeing keratin fibers, which contain at least one of these dyes as well as to a process for dyeing keratin fibers using at least one of these dyes.

  本发明涉及一般式(I)和(II)的新阳离子染料：该发明还涉及用于染色角蛋白纤维的套件和组合物，其中至少含有这些染料之一，以及使用至少一种这些染料染色角蛋白纤维的方法。
• Compositions for oxidatively dyeing keratin fibers and methods for using such compositions
  申请人：Lim Mu'Ill

  公开号：US20070209123A1

  公开（公告）日：2007-09-13

  Compositions for dyeing keratin fibers comprise (a) at least one keratin dyeing compound selected from aromatic systems which comprise at least one boronic acid or boronic ester moiety and which are capable of forming upon oxidation a nucleophile or an electrophile, (b) at least one additional keratin dyeing compound selected from the group consisting of auxiliary developers and auxiliary couplers, and (c) a cosmetically suitable medium. Methods for oxidatively dyeing keratin fibers comprise the steps of applying such compositions in the presence of an oxidizing agent and rinsing the hair. A hair coloring product in kit form comprises a first separately packaged container comprising a composition as described above and a second separately packaged container comprising an oxidizing agent.

  用于染色的组合物包括：(a)至少一种选自含有至少一个硼酸或硼酸酯基团的芳香族系统的角蛋白染料化合物，这些化合物在氧化时能够形成亲核物或亲电子物；(b)至少一种额外的角蛋白染料化合物，选自辅助显色剂和辅助偶联剂的组合；(c)一种化妆品适用的介质。氧化染角蛋白纤维的方法包括在氧化剂存在下应用这样的组合物，并冲洗头发。一种套装形式的头发染色产品包括一个第一独立包装容器，其中包含上述描述的组合物，以及一个第二独立包装容器，其中包含氧化剂。
• Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof
  申请人：Lim Mu'lll

  公开号：US20060156481A1

  公开（公告）日：2006-07-20

  Compositions for the oxidative dyeing of keratin fibers, comprising a medium suitable for dyeing and at least one N-oxides of six-membered rings with one or two nitrogen atoms keratin dyeing compound. A method for oxidative dyeing of keratin fibers, comprising applying such compositions in the presence of an oxidizing agent, for a period sufficient to develop the desired coloration.

  氧化染色角蛋白纤维的配方，包括适用于染色的介质和至少一种含有一个或两个氮原子的六元环N-氧化物的角蛋白染料化合物。一种氧化染色角蛋白纤维的方法，包括在氧化剂存在下施用这种配方，以足够时间发展所需的着色。
• Coupling compounds and hair dyeing compositions containing them
  申请人：DyStar Textilfarben GmbH & Co. Deutschland KG

  公开号：EP1847528A1

  公开（公告）日：2007-10-24

  The present invention refers to compounds of the formula (I) wherein R1 is (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy, hydroxy-(C1-C4)-alkoxy, CN, -COOR5, -CON(R5)2 or -N(R5)2 or is phenyl; R2 is hydrogen, methyl or ethyl; R3 is (C1-C4)-alkylsulfonyl, (C1-C4)-alkylsulfonyl which is substituted by hydroxy, halogen, cyano, (C1-C4)-alkoxy or -N(R5)2 or is -SO2-CH=CH2, -SO2N(R5)2 or -PO(OR5)2; R4 is hydrogen, (C2-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy or hydroxy-(C1-C4)-alkoxy; each of R5, independently is hydrogen, (C1-C4)-alkyl or hydroxy-(C2-C4)-alkyl; whereas R3 is not -NHSO2CH3 if R2 and R4 are both hydrogen and R1 is methyl, as well as hair dye compostions containing them.

  本发明涉及以下式(I)的化合物其中R1是(C1-C4)-烷基，被羟基取代的(C1-C4)-烷基，(C1-C4)-氧烷基，羟基-(C1-C4)-氧烷基，CN，-COOR5，-CON(R5)2或-N(R5)2或是苯基；R2是氢，甲基或乙基；R3是(C1-C4)-烷基磺酰基，被羟基，卤素，氰基，(C1-C4)-氧烷基或-N(R5)2取代的(C1-C4)-烷基磺酰基，或是-SO2-CH=CH2，-SO2N(R5)2或-PO(OR5)2；R4是氢，被羟基，(C1-C4)-氧烷基或羟基-(C1-C4)-氧烷基取代的(C2-C4)-烷基；R5中的每一个独立地是氢，(C1-C4)-烷基或羟基-(C2-C4)-烷基；其中如果R2和R4都是氢且R1是甲基，则R3不是-NHSO2CH3，以及含有它们的染发组合物。
• [EN] DYE COMPOSITION COMPRISING A CATIONIC O-ALKYL-SUBSTITUTED META-PHENYLENEDIAMINE DERIVATIVE<br/>[FR] COMPOSITION DE TEINTURE COMPRENANT UN DÉRIVÉ DE MÉTA-PHÉNYLÈNEDIAMINE CATIONIQUE À SUBSTITUTION ALKYLE O
  申请人：OREAL

  公开号：WO2014026952A1

  公开（公告）日：2014-02-20

  The invention relates to a meta-phenylenediamine compound of formula (I) below, the addition salts thereof with an acid and the solvates thereof: in which: R represents a hydrogen or halogen atom; a C1-C4 alkyl radical; a carboxyl radical or a (C1-C4) alkoxycarbonyl radical, R1 represents a linear C1-C10 alkyl radical substituted with a cationic radical, said alkyl radical being optionally interrupted with one or more oxygen atoms and/or with one or more NR6 groups, said cationic radical being optionally substituted with one or more radicals chosen from C1-C4 alkoxy or C1-C4 (hydroxy )alkyl; R6 represents a hydrogen atom or a linear or branched C1-C4 alkyl radical; An- represents an anion or a mixture of anions which are organic or inorganic and cosmetically acceptable.

  该发明涉及以下式（I）的一个甲苯二胺类化合物，以及其与酸的加合盐和溶剂化合物：其中：R代表氢或卤素原子；一个C1-C4烷基基团；一个羧基或（C1-C4）烷氧羰基基团，R1代表一个线性的C1-C10烷基基团，该基团被一个阳离子基团取代，所述烷基基团可以选择性地被一个或多个氧原子和/或一个或多个NR6基团中断，所述阳离子基团可以选择性地被一个或多个从C1-C4烷氧基或C1-C4（羟基）烷基中选择的基团取代；R6代表氢原子或线性或支链的C1-C4烷基基团；An-代表一个有机或无机且在化妆品中可接受的阴离子或阴离子混合物。