1,4-Benzenediol,2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis-
- 中文别名：N,N-Bis(2,5-二羟基苄叉二氯)-1,2-苯二胺
- 中文释义：N,N-双(2,5-二羟基苯亚甲基)-1,2-苯二胺
- 英文别名：2,2'-[1,2-phenylenebis(nitrilomethylidyne)]bis(4-hydroxyphenol);
N,N-BIS(2,5-DIHYDROXYBENZYLIDENE)-1,2-DIAMINOBENZENE;
N,N-BIS (2,5-DIHYDROXYBENZYLIDENE)-1,2-DIAMINOBENZENE;
2-[(E)-[2-[(E)-(2,5-DIHYDROXYPHENYL)METHYLENEAMINO]PHENYL]IMINOMETHYL]BENZENE-1,4-DIOL;
N N-BIS(2,5-DIHYDROXYBENZYLIDENE)-1,2-DIAMINOBENZENE
- CAS No.：154198-33-1
- 分子式：
C20H16N2O4
- 分子量：348.35
- 精确分子量：348.11100
- PSA：105.64000
- MDL：MFCD04039748
- InChI：The Key: CSSNBAFBEWRGCG-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 熔点：
- 163-165 °C
- 蒸汽压：
- 4.55E-11mmHg at 25°C
- 存储条件/存储方法：
密闭于阴凉干燥环境中
- 稳定性相关：
遵照规定使用和储存则不会分解。
- 其它信息：
1. 性状：黄色结晶性粉末
2. 密度（g/mL,25/4℃）：无可用
3. 相对蒸汽密度（g/mL,空气=1）：无可用
4. 熔点（ºC）：163-165
5. 沸点（ºC,常压）：无可用
6. 沸点（ºC,5.2kPa）：无可用
7. 折射率：无可用
8. 闪点（ºC）：无可用
9. 比旋光度（º）：无可用
10. 自燃点或引燃温度（ºC）：无可用
11. 蒸气压（kPa,25ºC）：无可用
12. 饱和蒸气压（kPa,60ºC）：无可用
13. 燃烧热（KJ/mol）：无可用
14. 临界温度（ºC）：无可用
15. 临界压力（KPa）：无可用
16. 油水（辛醇/水）分配系数的对数值：无可用
17. 爆炸上限（%,V/V）：无可用
18. 爆炸下限（%,V/V）：无可用
19. 溶解性：无可用
安全信息
- 熔点：
- 163-165 °C
- 蒸汽压：
- 4.55E-11mmHg at 25°C
- 存储条件/存储方法：
密闭于阴凉干燥环境中
- 稳定性相关：
遵照规定使用和储存则不会分解。
- 其它信息：
1. 性状：黄色结晶性粉末
2. 密度（g/mL,25/4℃）：无可用
3. 相对蒸汽密度（g/mL,空气=1）：无可用
4. 熔点（ºC）：163-165
5. 沸点（ºC,常压）：无可用
6. 沸点（ºC,5.2kPa）：无可用
7. 折射率：无可用
8. 闪点（ºC）：无可用
9. 比旋光度（º）：无可用
10. 自燃点或引燃温度（ºC）：无可用
11. 蒸气压（kPa,25ºC）：无可用
12. 饱和蒸气压（kPa,60ºC）：无可用
13. 燃烧热（KJ/mol）：无可用
14. 临界温度（ºC）：无可用
15. 临界压力（KPa）：无可用
16. 油水（辛醇/水）分配系数的对数值：无可用
17. 爆炸上限（%,V/V）：无可用
18. 爆炸下限（%,V/V）：无可用
19. 溶解性：无可用
毒理性
- 生态数据：
该物质对环境可能有危害，对水体应给予特别注意。
MSDS
| Name: | N N-Bis(2 5-dihydroxybenzylidene)-1 2-diaminobenzene Material Safety Data Sheet |
| Synonym: | |
| CAS: | 154198-33-1 |
Section 1 - Chemical Product MSDS Name:N N-Bis(2 5-dihydroxybenzylidene)-1 2-diaminobenzene Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 154198-33-1 | N,N-Bis(2,5-dihydroxybenzylidene)-1,2- | | unlisted |
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
Notes to Physician:
Treat symptomatically and supportively.
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# 154198-33-1: 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: Crystalline powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 163 - 165 deg C
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: C20H16N2O4
Molecular Weight: 348.36
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 154198-33-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N,N-Bis(2,5-dihydroxybenzylidene)-1,2-diaminobenzene - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 154198-33-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 154198-33-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 154198-33-1 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2925290090
- 概述：
- 2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：96.58
2、 摩尔体积（m3/mol）：267.4
3、 等张比容（90.2K）：724.3
4、 表面张力（dyne/cm）：53.7
5、 极化率（10-24cm3）：38.29
计算化学数据
1、 疏水参数计算参考值（XlogP）：1.6
2、 氢键供体数量：4
3、 氢键受体数量：6
4、 可旋转化学键数量：4
5、 拓扑分子极性表面积（TPSA）：98.7
6、 重原子数量：26
7、 表面电荷：0
8、 复杂度：718
9、 同位素原子数量：0
10、 确定原子立构中心数量：0
11、 不确定原子立构中心数量：0
12、 确定化学键立构中心数量：0
13、 不确定化学键立构中心数量：0
14、 共价键单元数量：1
