4,6-二氨基间苯二酚 - CAS号 15791-87-4

物化性质

沸点：

430.1±25.0 °C(Predicted)
密度：

1.542
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)：

-0.2
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：

92.5
氢给体数：

4
氢受体数：

4

安全信息

危险品标志：

Xi
安全说明：

S26,S37/39
危险类别码：

R36/37/38
海关编码：

2922299090
储存条件：

存于阴凉干燥处。

SDS

SDS：e59119276ce753c87a94eb8b96ec189f

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Name:	4 6-Diaminoresorcinol dihydrochloride 98% Material Safety Data Sheet
Synonym:
CAS:	15791-87-4

Section 1 - Chemical Product MSDS Name:4 6-Diaminoresorcinol dihydrochloride 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
15791-87-4	4,6-Diaminoresorcinol dihydrochloride	98%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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:

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 15791-87-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: gray brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 213.06

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 15791-87-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,6-Diaminoresorcinol dihydrochloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 15791-87-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15791-87-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15791-87-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	4,6-bis-phenylazo-resorcinol	15236-63-2	C₁₈H₁₄N₄O₂	318.335
——	4,6-bis-phenylazo-resorcinol	15236-63-2	C₁₈H₁₄N₄O₂	318.335

反应信息

作为反应物：

描述：

4,6-二氨基间苯二酚在 lithium aluminium tetrahydride 、三乙胺作用下，以四氢呋喃、乙腈为溶剂，反应 12.0h，生成 N,N'-dineopentyl-2-amino-5-alcoholate-1,4-benzoquinonemonoiminium

参考文献：

名称：

A 6π + 6π Potentially Antiaromatic Zwitterion Preferred to a Quinoidal Structure: Its Reactivity Toward Organic and Inorganic Reagents

摘要：

A straightforward synthesis of the zwitterionic benzoquinonemonoimine 8 is reported. This molecule is a rare example of a zwitterion being more stable than its canonical forms. It is shown that 8 is best described as constituted of two chemically connected but electronically not conjugated 6 pi electron subunits. Its reactivity with electrophiles such as H+, CH3+, and metal salts leads to the synthesis of new 12,7 electron molecules 12 (H+), 14 (CH3+), and 20 (Pd2+), respectively, in which one or both 6 pi electron subsystems localize into an alternation of single and double bonds, as established by X-ray diffraction. The acidity of the N-H protons of 8 can be modulated by an external reagent. Dependent on the electrophile used, the control of the pi system delocalization becomes possible. When the electrophile simply adds to the zwitterion as in 12, 14, or 15, there is no more negative charge to be delocalized and only the positive charge remains delocalized between the nitrogen atoms. Furthermore, when a reaction with the electrophilic reagent results in deprotonation, as in 17-21, there remains no charge in the system to be delocalized. DFT calculations were performed on models of 8, 12, 14, 20, and on other related zwitterions 9 and 10 in order to examine the influence of the fused cycles on the charge separation and on the singlet-triplet energy gap. An effect of the nitrogen substituents in 8 is to significantly stabilize the singlet state. The dipole moment of 8 was measured to be 9.7 D in dichloromethane, in agreement with calculated values. The new ligands and complexes described in this article constitute new classes of compounds relevant to many areas of chemistry.

DOI：

10.1021/ja0354622
作为产物：

描述：

2-chloro-4,6-dinitroresorcinol 在 15% palladium on carbon 、 ammonium acetate 、氢气作用下，以异丙醇为溶剂， 60.0 ℃ 、2.0 MPa 条件下，反应 0.05h，以88%的产率得到4,6-二氨基间苯二酚

参考文献：

名称：

Pd / C催化剂上2-氯-4,6-二硝基间苯二酚的加氢脱氯

摘要：

通过浸渍-沉积法制备的负载在活性炭上的钯催化剂（Pd / C）用于2-氯-4,6-二硝基间苯二酚（CDNR）的催化加氢和加氢脱氯（HDC）。通过X射线衍射，X射线光电子能谱（XPS），扫描电子显微镜和透射电子显微镜进行表征，揭示了〜3.0 nm Pd纳米颗粒形式的Pd物种，该颗粒由高度分散在活性炭上的Pd 0和Pd n +组成。具有高Pd 0 /（Pd 0 + Pd n +的Pd / C催化剂）对CDNR的氢化具有高活性，而目标产物4,6-二氨基间苯二酚（DAR）的产率很大程度上取决于溶剂介质。得到了溶剂介电常数与活性和选择性的关系。烷醇或乙酸水溶液对HDC有利。当使用80％乙醇/水介质进行反应时，未检测到2-氯-4，6-二氨基间苯二酚产物。XPS，能量分散光谱和高分辨率透射电子显微镜显示，强Cl吸附导致Pd / C催化剂的活性和对DAR的选择性降低。

DOI：

10.1007/s11164-018-3477-y
作为试剂：

描述：

4,6-二氨基间苯二酚、盐酸在钯盐酸、 stannous chloride dihydrate 、 4,6-二氨基间苯二酚、碳、氮气作用下，反应 0.25h，以to yield 48.7 g of essentially pure (99.8%) 4,6-diaminoresorcinol dihydrochloride having a m.p. of >300° C的产率得到(5-Azaniumyl-2,4-dihydroxyphenyl)azanium;dichloride

参考文献：

名称：

Cleaving arylethers

摘要：

本发明涉及一种裂解芳基醚的方法，例如由以下公式表示的芳基醚：##STR1## 其中R是氢、C.sub.1-C.sub.6烷基、环烷基、苯基、取代苯基或CH.dbd.CH.sub.2; 每个A独立地是NO.sub.2、羟基、卤素或甲氧基; n是0到5的整数; x为1或2，包括将芳基醚与酰胺氢卤化物盐接触，条件足以裂解芳基醚的乙醚基并形成酚或取代酚。本发明还涉及一种制备4,6-二氨基邻苯二酚的方法，该物是用于制备聚苯并咪唑（PBO）的单体。

公开号：

US05463129A1

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文献信息

PROCESS FOR THE PREPARATION OF AROMATIC AZOLE COMPOUNDS

申请人：GOLDFINGER MARC B.

公开号：US20140066629A1

公开（公告）日：2014-03-06

Aromatic azole compounds such as 2-(4-aminophenyl)-5-amino-benzimidazole are prepared in an organic sulfonic acid solvent instead of polyphosphoric acid. This allows recovery and recycle of the solvent and avoids the handling and environmental concerns resulting from the use of polyphosphoric acid. The resulting compounds find use in the pharmaceutical industry, as anticorrosion agents, and as precursors for high-performance fibers having high strength, stiffness, and flame resistance.

芳香唑类化合物，如2-(4-氨基苯基)-5-氨基苯并咪唑，是在有机磺酸溶剂中制备的，而不是在聚磷酸中制备的。这样可以回收和循环溶剂，并避免使用聚磷酸所带来的处理和环境问题。所得的化合物在制药工业中被用作抗腐蚀剂，并作为高性能纤维的前体，具有高强度、刚度和阻燃性。
NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE

申请人：NISSAN CHEMICAL INDUSTRIES. LTD.

公开号：US20160264520A1

公开（公告）日：2016-09-15

To provide a novel diamine, and a polyimide precursor and a polyimide using it. A diamine represented by the formula (1): wherein each of X 1 and X 5 which are independent of each other, is a single bond or the like; each of X 2 and X 4 which are independent of each other, is —CH 2 — or the like; X 3 is a C 1-6 alkylene or the like; each of Y 1 and Y 2 which are independent of each other, is a single bond or the like; R is a C 1-20 linear, branched or cyclic hydrocarbon group; and a is 0 or 1).

提供一种新颖的二胺，以及使用它的聚酰亚胺前体和聚酰亚胺。一种由式（1）表示的二胺：其中X1和X5中的每一个独立的，是单键或类似物；X2和X4中的每一个独立的，是—CH2—或类似物；X3是C1-6烷基或类似物；Y1和Y2中的每一个独立的，是单键或类似物；R是C1-20线性、支链或环烃基；a为0或1。
Toward a 6π+6π Zwitterion or a Bioinhibitors-Related OH-Substituted Aminoquinone: Identification of a Key Intermediate in Their pH Controlled Synthesis

作者：Pierre Braunstein、Olivier Siri、Jean-philippe Taquet、Qing-Zheng Yang

DOI：10.1002/chem.200400244

日期：2004.8.6

Their pH-controlled reactivity places the N,N'-dialkyl-2-amino-5-lithium alcoholate-1,4-benzoquinonemonoimines [C(6)H(2)(NHCH(2)R') (=NCH(2)R')(=O)(OLi)] 7 (R'=tBu) and 8 (R'=p-C(6)H(4)-tBu) at the crossroads of a new versatile strategy for the preparation of two very different classes of substituted quinones. We describe new 2-(N-alkyl)amino-5-hydroxy-1,4-benzoquinones, which are parent molecules

他们的pH值控制的反应性放置N，N'-二烷基-2-氨基-5-锂醇盐-1,4-苯醌单亚胺[C（6）H（2）（NHCH（2）R'）（= NCH（2 ）R'）（= O）（OLi）] 7（R'= tBu）和8（R'= pC（6）H（4）-tBu）的交叉路口，用于制备两个不同种类的取代醌。我们描述了新的2-（N-烷基）氨基-5-羟基-1,4-苯醌，这是生物活性取代的氨基苯醌的母体分子，对于它，N-取代基的变化将变得可能。还报道了此类化合物的首次X射线结构测定结果[[C（6）H（2）（NHCH（2）tBu）（OH）（= O）（2）] 13），我们比较了C（6）环的N-取代基数量对由13个两性离子N，N'自组装产生的超分子网络的影响
RESIN COMPOSITION

申请人：TORAY INDUSTRIES, INC.

公开号：US20190241716A1

公开（公告）日：2019-08-08

The present invention provides a resin composition having a high sensitivity and serving to produce a cured film with a low water absorption rate. The resin composition includes: (a) an alkali-soluble resin and (b1) an amido-phenol compound containing a phenolic hydroxyl group in which a monovalent group as represented by the undermentioned general formula (1) is located at the ortho position and/or (b2) an aromatic amido acid compound containing a carboxy group in which a monovalent group as represented by the undermentioned general formula (2) is located at the ortho position: wherein in general formula (1), X is a monovalent organic group having an alkyl group that contains 2 to 20 carbon atoms and bonds directly to the carbonyl carbon in general formula (1) or a monovalent organic group that has —(YO) n —; and in general formula (2), U is a monovalent organic group that has an alkyl group containing 2 to 20 carbon atoms and bonding directly to the amide nitrogen in general formula (2) or a monovalent organic group that has —(YO) n —; wherein Y is an alkylene group containing 1 to 10 carbon atoms and n is an integer of 1 to 20.

本发明提供了一种树脂组合物，具有高灵敏度，并用于生产具有低吸水率的固化膜。该树脂组合物包括：(a)可溶于碱的树脂和(b1)含有酚羟基的酰胺酚化合物，其中酚羟基化合物中的单价基在邻位上，和/或(b2)含有羧基的芳香酰胺酸化合物，其中羧基化合物中的单价基在邻位上，其通式如下所示：在通式(1)中，X是一个单价有机基，具有含有2到20个碳原子的烷基，并直接连接到通式(1)中的羰基碳，或具有—(YO)n—的单价有机基；在通式(2)中，U是一个单价有机基，具有含有2到20个碳原子的烷基，并直接连接到通式(2)中的酰胺氮，或具有—(YO)n—的单价有机基；其中Y是含有1到10个碳原子的烷基，n是1到20的整数。
一种合成2-三氟乙基取代苯并噁唑化合物的方法

申请人：福州大学

公开号：CN110105300B

公开（公告）日：2023-04-14

本发明公开了一种硫单质促进合成2‑三氟乙基取代苯并噁唑化合物的方法：以硫粉为促进剂，以邻氨基苯酚衍生物为底物，以2‑溴‑3,3,3‑三氟丙烯为氟源，以碳酸氢钠为碱，以偶氮二异庚腈和联硼酸频那醇酯为添加剂，在N,N‑二甲基甲酰胺溶剂中，在100度下搅拌1～15小时，反应结束后反应液后处理得到2‑三氟乙基取代苯并噁唑化合物。

4,6-二氨基间苯二酚 | 15791-87-4

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

上下游信息

反应信息

文献信息

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