5,6-二氨基苯并咪唑-2-酮 - CAS号 55621-49-3

物化性质

熔点：

>3000C
沸点：

258.6±33.0 °C(Predicted)
密度：

1.470±0.06 g/cm3(Predicted)
溶解度：

DMSO（少许）、水（少许）

计算性质

辛醇/水分配系数(LogP)：

-0.8
重原子数：

12
可旋转键数：

0
环数：

2.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

93.2
氢给体数：

4
氢受体数：

3

安全信息

海关编码：

2933990090
WGK Germany：

3
危险性防范说明：

P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
危险性描述：

H315,H319

SDS

SDS：e2d17fbc46a28b33b49461dc20bd1bcd

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 1,3-Dihydro-5,6-diamino-2H-benzimidazol-2-one
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 55621-49-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Eye irritation (Category 2), H319
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Formula : C7H8N4O
Molecular Weight : 164,16 g/mol
CAS-No. : 55621-49-3
EC-No. : 259-728-4
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
1,3-Dihydro-5,6-diamino-2H-benzimidazol-2-one
CAS-No. 55621-49-3 Eye Irrit. 2; H319 <= 100 %
EC-No. 259-728-4
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
1,3-Dihydro-5,6-diamino-2H-benzimidazol-2-one
CAS-No. 55621-49-3 Xi, R36 <= 100 %
EC-No. 259-728-4
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: -0,63
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Eye irritation
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

SECTION 15 - REGULATORY INFORMATION
N/A

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
1,3-二氢-5,6-二硝基-2H-苯并咪唑-2-酮	5,6-dinitro-2,3-dihydro-1H-benzimidazol-2-one	3705-86-0	C₇H₄N₄O₅	224.133
2-羟基苯并咪唑	1,3-dihydro-2H-benzimidazol-2-one	615-16-7	C₇H₆N₂O	134.137

反应信息

作为反应物：

描述：

1,10-邻二氮杂菲-5,6-二酮、 5,6-二氨基苯并咪唑-2-酮以乙醇为溶剂，以90%的产率得到dipyrido[3,2-a:2′,3′-c]phenazine-10,11-imidazolone-2

参考文献：

名称：

[Ru（bpy）2 dppz-idzo] 2+：比色分子“光开关”和强大的G-四链体DNA稳定剂†

摘要：

一种新的钌络合物[Ru（bpy）2 dppz-idzo] 2+（py = 2,2'-联吡啶，dppz-idzo = dipyrido- [3,2- a：2'，3'- c ]吩嗪-咪唑酮），进行了合成和表征。发光滴定表明，在K +溶液中存在G-四链体DNA的情况下，Ru-络合物显示出出色的“光开关”效应，发射增强因子约为300 。在紫外光照射下，肉眼甚至可以观察到这种非凡的“光开关”性能。为了深入了解“光开关”机制，在B3LYP / 6-31G *级别基于DFT / TDDFT / PCM方法进行了量子化学计算。此外，CD滴定和热熔实验表明[Ru（bpy）2 dppz-idzo] 2+不仅可以在不存在单阳离子的情况下诱导反平行的G-四链体结构的形成，而且还具有稳定G-四链体结构的能力，这暗示了其在抗癌治疗中的潜在应用。发现[Ru（bpy）2 dppz-idzo] 2+的“光开关”效果和结构稳

DOI：

10.1039/c3dt32640c
作为产物：

描述：

2-羟基苯并咪唑在硫酸、 palladium 10% on activated carbon 、氢气、硝酸、一水合肼作用下，以甲醇、水为溶剂，反应 4.0h，生成 5,6-二氨基苯并咪唑-2-酮

参考文献：

名称：

[Ru（bpy）2 dppz-idzo] 2+：比色分子“光开关”和强大的G-四链体DNA稳定剂†

摘要：

一种新的钌络合物[Ru（bpy）2 dppz-idzo] 2+（py = 2,2'-联吡啶，dppz-idzo = dipyrido- [3,2- a：2'，3'- c ]吩嗪-咪唑酮），进行了合成和表征。发光滴定表明，在K +溶液中存在G-四链体DNA的情况下，Ru-络合物显示出出色的“光开关”效应，发射增强因子约为300 。在紫外光照射下，肉眼甚至可以观察到这种非凡的“光开关”性能。为了深入了解“光开关”机制，在B3LYP / 6-31G *级别基于DFT / TDDFT / PCM方法进行了量子化学计算。此外，CD滴定和热熔实验表明[Ru（bpy）2 dppz-idzo] 2+不仅可以在不存在单阳离子的情况下诱导反平行的G-四链体结构的形成，而且还具有稳定G-四链体结构的能力，这暗示了其在抗癌治疗中的潜在应用。发现[Ru（bpy）2 dppz-idzo] 2+的“光开关”效果和结构稳

DOI：

10.1039/c3dt32640c

点击查看最新优质反应信息

文献信息

5，6-二氨基苯并咪唑酮-2的制备方法

申请人：青岛市黄岛区中医医院

公开号：CN105732510A

公开（公告）日：2016-07-06

本发明属于化学合成领域，具体涉及一种5，6-二氨基苯并咪唑酮-2的制备方法，其特征在于：(1)硝化反应中以二氯乙烷为溶剂，以五氧化二磷为催化剂，可以避免传统工艺中以浓硫酸为溶剂造成的大量废酸的产生；(2)还原反应中以水为溶剂，且可循环使用，符合绿色化学的要求。本发明制备方法工艺稳定，操作简单，减少了三废排放，适用于规模化工业生产。
Synthesis and characteristic of 5,6-dinitro and 5,6-diaminobenzimidazolone-2

作者：Zehui Yang、Jiarong Wang、Linglan Li、Chuping Ye、Hui Liu

DOI：10.1002/jhet.104

日期：2009.7

5,6-Dinitro and 5,6-diaminobenzimidazolone-2 can be synthesized at a sufficiently high purity and yield to permit its large scale production in an economically feasible manner. The results of our studies derived optimum conditions for the nitration process necessary to obtain pure 5,6-dinitriobenzimidazolone-2. J. Heterocyclic Chem. (2009).

可以以足够高的纯度和产率合成5，6-二硝基和5，6-二氨基苯并咪唑酮-2，以使其以经济上可行的方式大规模生产。我们的研究结果得出了获得纯5，6-二苯甲基苯并咪唑酮2所必需的硝化过程的最佳条件。J.杂环化学。（2009）。
NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM

申请人：Pimera, Inc.

公开号：US20160257678A1

公开（公告）日：2016-09-08

Generally, the present invention provides novel quinolone compounds and pharmaceutical composition thereof which may inhibit cell proliferation and/or induce cell apoptosis. The present invention also provides methods of preparing such compounds and compositions, and methods of making and using the same.

一般而言，本发明提供了新型的喹诺酮化合物及其制药组合物，可以抑制细胞增殖和/或诱导细胞凋亡。本发明还提供了制备这种化合物和组合物的方法，以及使用相同的方法。
RESIN COMPOSITION, LAMINATE, RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR WAFER, SUBSTRATE FOR MOUNTING RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR, AND SEMICONDUCTOR DEVICE

申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

公开号：EP3786200A1

公开（公告）日：2021-03-03

A resin composition that has excellent flux activity, flexibility and storage stability and that is suitable for a pre-applied underfill material is provided. The resin composition of the present invention contains a compound (A) having a phenolic hydroxy group, a metal ion trapping agent (B) and a radical polymerizable compound (C).

本发明提供了一种树脂组合物，该树脂组合物具有优异的通量活性、柔韧性和贮存稳定性，适用于预涂敷的底部填充材料。本发明的树脂组合物含有一种具有酚羟基的化合物（A）、一种金属离子捕获剂（B）和一种可自由基聚合的化合物（C）。
BATTERY MATERIAL AND ELECTRODE MATERIAL

申请人：Nissan Chemical Corporation

公开号：EP3929228A1

公开（公告）日：2021-12-29

Provided is a battery material that contains a carbon nanostructure having charge storage capacity, and that is characterized in that the carbon nanostructure provides a discharge capacity of 10 mAh/g or more in a secondary battery including an electrode in which only the carbon nanostructure is used as an active material.

本发明提供了一种电池材料，该材料含有一种具有电荷存储能力的碳纳米结构，其特征在于，在包括电极的二次电池中，该碳纳米结构可提供 10 mAh/g 或更高的放电能力，在该二次电池中，仅使用该碳纳米结构作为活性材料。

5,6-二氨基苯并咪唑-2-酮 | 55621-49-3

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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