2-氨基-1,3-苯二酚盐酸盐 | 634-60-6

• 物质功能分类: 化学试剂 - 有机试剂 - 芳烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氨基-1,3-苯二酚盐酸盐
• 中文别名: 2-氨基间苯二酚盐酸盐
• 英文名称: 2-aminoresorcinol hydrochloride
• 英文别名: 2-aminobenzene-1,3-diol hydrochloride；2-aminobenzene-1,3-diol;hydrochloride
• CAS: 634-60-6
• 化学式: C₆H₇NO₂*ClH
• mdl: MFCD00050691
• 分子量: 161.588
• InChiKey: QOVNXPCVVNCPQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.54
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.1
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R20/21/22,R40,R36/37/38,R36,R22
• WGK Germany：
  3
• 海关编码：
  2922299090
• 储存条件：
  密封避光保存。

SDS

Name:	2-Aminoresorcinol Hydrochloride 97% (Titr.) Material Safety Data Sheet
Synonym:	2-Amino-1,3-Benzenediol Hydrochloride
CAS:	634-60-6

Section 1 - Chemical Product MSDS Name:2-Aminoresorcinol Hydrochloride 97% (Titr.) Material Safety Data Sheet
Synonym:2-Amino-1,3-Benzenediol Hydrochloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
634-60-6	2-Aminoresorcinol Hydrochloride	97 (Titr	211-210-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. 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# 634-60-6: 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: Crystalline powder
Color: beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: moderately soluble
Specific Gravity/Density:
Molecular Formula: C6H7NO2.HCl
Molecular Weight: 161.59

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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:
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# 634-60-6: VG9840000 LD50/LC50:
Not available.
Carcinogenicity:
2-Aminoresorcinol Hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 634-60-6: No information available.
Canada
CAS# 634-60-6 is listed on Canada's NDSL List.
CAS# 634-60-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 634-60-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：有毒物品

• 毒性分级：高毒
• 急性毒性：
  • 口服（大鼠）LD₅₀：500毫克/公斤
  • 腹腔注射（大鼠）LD₅₀：30毫克/公斤

可燃性危险特性：可燃；燃烧时产生有毒氮氧化物烟雾

储运特性：库房应通风、低温和干燥保存

灭火剂：干粉、泡沫、砂土、二氧化碳或雾状水

反应信息

• 作为反应物：
  描述：

  2-氨基-1,3-苯二酚盐酸盐 在 manganese(IV) oxide 、 三乙胺 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 56.5h， 生成 Rifalazil
  参考文献：
  名称：

  Synthesis and Biological Activity of 3'-Hydroxy-5'-aminobenzoxazinorifamycin Derivatives.

  摘要：

  作为我们对苯噁唑啉类利福霉素衍生物合成研究的一部分，合成了3'-羟基-5'-氨基苯噁唑啉利福霉素衍生物，并测试了它们的抗菌活性。这些化合物对革兰氏阳性和革兰氏阴性细菌的抗菌活性几乎与利福平（RFP）和利福布丁（RFB）相当，但对结核分枝杆菌的抗菌活性优于RFP，与RFB相似。3'-羟基-5'-(4-烷基-1-哌嗪基)苯噁唑啉利福霉素衍生物在体外对鸟分枝杆菌复合体（MAC）也表现出强大的活性。它们对MAC的最小抑菌浓度值比RFP和RFB高2-256倍。经过口服给药后，对M. tuberculosis和MAC的体内疗效优于RFP和RFB，除了RFB对M. tuberculosis的体内活性。尽管它们从胃肠道被吸收，但其血浆水平低于RFP。在这些5'-(4-烷基-1-哌嗪基)衍生物中，3'-羟基-5'-(4-异丁基-1-哌嗪基)苯噁唑啉利福霉素（化合物19，KRM-1648）被选为最有前景的候选化合物，并对其在小鼠中的初步药代动力学特性进行了研究。化合物19在组织中的分布明显高于血浆，尤其是在脾脏和肺部，且从组织中的消除时间较长。

  DOI：

  10.1248/cpb.41.148
• 作为产物：
  描述：

  2-Benzolazo-resorcin 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 反应 0.25h， 以95%的产率得到2-氨基-1,3-苯二酚盐酸盐
  参考文献：
  名称：

  A Simple Reduction Method of Azo-Compounds to Amines Using Fe Powder in the Presence of NH4Cl

  摘要：

  A series of azo-compounds were reduced to related aromatic amines in the presence of Fe powder and ammonium chloride. This one step protocol led to the formation of products in middle to high yields, especially when electron releasing substituted aromatic azo-compounds were reduced.

  DOI：

  10.1007/s00706-007-0633-2

文献信息

• Nitrogen-containing fused ring compounds and use thereof
  申请人：Hirata Kazuyuki

  公开号：US20070010670A1

  公开（公告）日：2007-01-11

  A URAT1 activity inhibitor containing a nitrogen-containing fused ring compound represented by the following formula [1]: wherein each symbol is as defined in the description. The present invention is useful for the prophylaxis or treatment of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like.

  一种包含氮含有融合环化合物的URAT1活性抑制剂，其化学式如下所示[1]： 其中每个符号如描述中所定义。本发明对于预防或治疗显示尿酸参与的病理学，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等方面具有用处。
• [EN] ANTI-STAPHYLOCOCCUS AUREUS ANTIBODY RIFAMYCIN CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS D'ANTICORPS ANTI STAPHYLOCOQUE DORÉ ET DE RIFAMYCINE ET UTILISATIONS DE CEUX-CI
  申请人：GENENTECH INC

  公开号：WO2016090038A1

  公开（公告）日：2016-06-09

  The invention provides anti-Staphylococcus aureus antibody rifamycin antibiotic conjugates and methods of using same.

  本发明提供了抗金黄色葡萄球菌抗体利福霉素抗生素偶联物及其使用方法。
• PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS
  申请人：Philippe Michel

  公开号：US20100028280A1

  公开（公告）日：2010-02-04

  The invention relates to a process for straightening keratin fibres, comprising: (i) a step in which a straightening composition containing at least two denaturing agents is applied to the keratin fibres, (ii) a step in which the temperature of the keratin fibres is raised, using a heating means, to a temperature of between 110 and 250° C.

  该发明涉及一种直发角蛋白纤维的拉直过程，包括：(i)将至少两种变性剂含有的拉直组合物涂抹到角蛋白纤维上的步骤，(ii)使用加热装置将角蛋白纤维的温度升高至110至250°C的步骤。
• [EN] NUCLEIC ACID CHEMICAL MODIFICATIONS<br/>[FR] MODIFICATIONS CHIMIQUES D'ACIDE NUCLÉIQUE
  申请人：ALNYLAM PHARMACEUTICALS INC

  公开号：WO2010101951A1

  公开（公告）日：2010-09-10

  he present invention provides nucleosides of formula (1) and oligonucleotides comprising at least on nucleoside of formula (2): Another aspect of the invention relates to a method of inhibiting the expression of a gene in cell, the method comprising (a) contacting an oligonucleotide of the invention with the cell; and (b) maintaining the cell from step (a) for a time sufficient to obtain degradation of the mRNA of the target gene.

  本发明提供了式（1）的核苷和包含至少一种式（2）核苷的寡核苷酸；发明的另一个方面涉及一种抑制细胞中基因表达的方法，该方法包括（a）将本发明的寡核苷酸与细胞接触；和（b）维持步骤（a）中的细胞足够长的时间以获得目标基因mRNA的降解。
• Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds
  申请人：Miki Kazuki

  公开号：US20080305169A1

  公开（公告）日：2008-12-11

  [Problems] The present invention provides pharmaceutical composition which is effective for the prophylaxis or treatment of pathology showing involvement of uric acid (hyperuricemia, gouty tophus, acute gout arthritis, chronic gout arthritis, gouty kidney, urolithiasis, renal function disorder, coronary arterial disease, ischemic heart disease and the like) and the like, and is superior in the time-course stability and dissolution property (disintegration property). [Solving Means] The pharmaceutical composition of the present invention is a pharmaceutical composition comprising a nitrogen-containing fused ring compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, and one or more pharmaceutically acceptable additives, wherein the nitrogen-containing fused ring compound or a pharmaceutically acceptable salt thereof is not in contact with a basic additive: wherein each symbol is as described in the specification.

  本发明提供了一种药物组合物，用于预防或治疗涉及尿酸的病理（高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等），并且在时间稳定性和溶解性（分解性）方面具有优越性。 【解决手段】本发明的药物组合物是一种药物组合物，包括下式【1】所表示的含氮融合环化合物或其药学上可接受的盐，以及一种或多种药学上可接受的添加剂，其中所述的含氮融合环化合物或其药学上可接受的盐与碱性添加剂不接触： 其中每个符号如说明书中所述。

表征谱图