苯胺硫酸盐(2:1)

苯胺硫酸盐(2:1) 基本信息
CAS号 542-16-5 分子式 C6H9NO4S
分子量 191.20500 精确质量  191.02500
PSA  109.00000 LogP  2.27800

等价的CAS号:

542-16-5,2424-53-5,20305-50-4,29961-02-2

基本信息 展开↓

CAS号:
542-16-5
3D弹球模型:
立即前往扯扯看
分子式:
C6H9NO4S
分子量:
191.20500
中文名称:
苯胺硫酸盐(2:1)
英文名称:
Aniline sulfate
中文别名:
苯胺硫酸盐(2:1);
硫酸苯胺;
苯胺硫酸盐
英文别名:
Aniline sulfate;
anilin sulfate;
aniline,sulfate;
Dianilinium sulfate;
dianilinium sulphate;
Benzenamine,sulfate;
dianilunium sulphate;
aniline sulfate salt;
Anilin,Sulfat;
ANILINE SULPHATE;
ANILINE SULFATE REAGENT;
Anilinedihydrosulfate;
Anilinium Sulfate
精确分子量/精确质量:
191.02500
极性分子表面积/PSA:
109.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00013110
EINECS:
208-805-0
BRN:
3729533
InChI:
InChI=1/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-6;1-5(2,3)4/h2*1-5H,7H2;(H2,1,2,3,4)

生产制备方法及用途展开↓

制备方法


由苯胺和硫酸作用而成。

合成制备方法


由苯胺和硫酸作用而成。

用途简介


显微分析木质素。定性分析氯酸盐。有机合成。

用途


显微分析木质素。定性分析氯酸盐。有机合成。

物化性质展开↓

外观与性状:
白色至非常略黄色结晶粉末
密度:
1.38
熔点:
-6ºC
沸点:
184.4ºC at 760 mmHg
闪点:
70ºC
存储条件/存储方法:

  本品应密封避光保存。

稳定性相关:

按规格使用和贮存,不会发生分解,避免与氧化物接触

其它信息:

1.       性状:白色有光泽的片状结晶。见光或在空气中色变深。

2.       密度(g/mL,25/4): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:溶于水,微溶于乙醇,不溶于乙醚。

安全信息展开↓

包装等级:
III
风险类别:
6.1
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R23/24/25
安全说明:
S26-S27-S36/37/39-S45-S61-S63
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
T: Toxic;N: Dangerous for the environment;

合成路线查看所有的合成路线

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    硫酸

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  • 4275-05-2

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  • 542-16-5

    苯胺硫酸盐(2:1)

  • 60-29-7

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    N-苯基羟胺

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    2-氨基苯磺酸

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    o-sulphoaminobenzene

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  • 108-73-6

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  • 542-16-5

    苯胺硫酸盐(2:1)

化学图谱

  1. 硫酸苯胺红外图谱(IR1)

  2. 硫酸苯胺红外图谱(IR2)

  3. 硫酸苯胺核磁图(13CNMR)

  4. 硫酸苯胺核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

毒理学数据:

暂无

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 展开↓

Name: Aniline sulfate 99% (uv-vis) Material Safety Data Sheet
Synonym: Non
CAS: 542-16-5
Section 1 - Chemical Product   MSDS Name:Aniline sulfate 99% (uv-vis) Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
542-16-5 Aniline sulfate 99% 208-805-0
Hazard Symbols: T N
Risk Phrases: 20/21/22 40 50 48/23/24/25

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Limited evidence of a carcinogenic effect. Very toxic to aquatic organisms. Toxic : danger of serious damage to health by prolonged exposure through inhalation, contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin. If absorbed, may cause symptoms similar to those for ingestion.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood.
Overexposure may cause methemoglobinemia.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion. May cause pulmonary edema and severe respiratory disturbances. The toxicological properties of this substance have not been fully investigated.
Chronic:
Possible cancer hazard based on tests with laboratory animals.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
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:
Absorption of this product into the body may cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Moderate degrees of cyanosis need to be treated only by supportive measures: bed rest and oxygen inhalation. For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood. Cleansing of the entire contaminated area of the body is of utmost importance.

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 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. Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.

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 only under a chemical fume hood.
Exposure Limits CAS# 542-16-5: 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:
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: Not available.
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 available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3800g/cm3
Molecular Formula: C12H14N2.H2SO4
Molecular Weight: 284.33

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 542-16-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Aniline sulfate - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T N
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 40 Limited evidence of a carcinogenic effect.
R 48/23/24/25 Toxic : danger of serious damage to
health by prolonged exposure through inhalation,
contact with skin and if swallowed.
R 50 Very toxic to aquatic organisms.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 542-16-5: No information available.
Canada
CAS# 542-16-5 is listed on Canada's DSL List.
CAS# 542-16-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 542-16-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


暂无

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:3

3.氢键受体数量:5

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积109

7.重原子数量:12

8.表面电荷:0

9.复杂度:127

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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