对氨基水杨酸钠

对氨基水杨酸钠 基本信息
CAS号 6018-19-5 分子式 C7H10NNaO5
分子量 211.14800 精确质量  211.04600
PSA  104.84000 LogP  -0.20950

基本信息 展开↓

CAS号:
6018-19-5
3D弹球模型:
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分子式:
C7H10NNaO5
分子量:
211.14800
中文名称:
对氨基水杨酸钠
英文名称:
Sodium 4-aminosalicylate dihydrate
中文别名:
对氨基水杨酸钠;
4-氨基水杨酸钠盐;
4-氨基-2-羟基苯甲酸钠盐;
4-氨基-2-羟基苯甲酸钠二水化合物;
4-氨基水杨酸钠二水合物;
阿地溴铵
英文别名:
Sodium 4-aminosalicylate dihydrate;
sodium p-aminosalicylate dihydrate;
4-AMINOSALICYLIC ACID SODIUM SALT 2-HYDRATE;
Sodium 4-aminosalicy;
Sodium 4-amino-2-hydroxybenzoate dihydrate;
4-Amino-2-hydroxy-benzoesaeure,Natrium-Salz;
PAS-NA 2H2O;
SODIUM AMINOSALICYLA;
4-AMINOSALICYLIC ACID SODIUM DIHYDRATE;
4-AMINOSALICYLIC ACID,NA SALT;
AMINOSALICYLATE SODIUM,DIHYDRATE;
4-amino-2-hydroxy-benzoic acid,sodium-salt;
4-aminosalicylic acid sodium salt dihydrate;
4-amino-salicylic acid sodium salt;
4-amino-2-hydroxybenzoic acid sodium salt dihydrate;
Sodium 4-Aminosalicylate;
AMINOSALICYLATESODIUM,DIHYDRATE,USP
精确分子量/精确质量:
211.04600
极性分子表面积/PSA:
104.84000
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:
MFCD00151044
EINECS:
205-091-2
PubChem:
24846333
InChI:
The Key: HEIRCJNUUKDFDB-UHFFFAOYSA-M

物化性质展开↓

外观与性状:
白色至米色细结晶粉末
熔点:
250 °C
沸点:
380.8ºC at 760 mmHg
闪点:
184.1ºC
水溶解性:
soluble
存储条件/存储方法:

 避光,阴凉干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:未确定

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):250

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:未确定

安全信息展开↓

海关代码:
2918219000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志:
Xi: Irritant;

化学图谱

  1. 对氨基水杨酸钠红外图谱(IR1)

  2. 对氨基水杨酸钠红外图谱(IR2)

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毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境.

MSDS 展开↓

Name: 4-Aminosalicylic Acid Sodium Salt Dihydrate 98% Material Safety Data Sheet
Synonym: PAS; 4-Amino-2-Hydroxybenzoic Acid
CAS: 6018-19-5
Section 1 - Chemical Product   MSDS Name:4-Aminosalicylic Acid Sodium Salt Dihydrate 98% Material Safety Data Sheet
Synonym:PAS; 4-Amino-2-Hydroxybenzoic Acid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6018-19-5 4-Aminosalicylic Acid Sodium Salt Dihy 98% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Light sensitive.Air sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver damage.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed. Chronic exposure may cause liver damage.

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.
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:
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. 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.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Place under an inert atmosphere.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Store protected from light. Handle under an inert atmosphere. Store protected from air.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from light. Store under an inert atmosphere.

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# 6018-19-5: 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: white
Odor: Odorless or slight acetous
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 250 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 250 deg C
Solubility in water: soluble
Specific Gravity/Density: >1.0
Molecular Formula: C7H6NO3Na.2H2O
Molecular Weight: 211.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, light, dust generation, exposure to air, excess heat.
Incompatibilities with Other Materials:
Air, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6018-19-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Aminosalicylic Acid Sodium Salt Dihydrate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6018-19-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6018-19-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6018-19-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2918219000

概述:
2918219000 其他水杨酸盐。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:
2918219000 salicylic acid and its salts。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展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):

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:1

5、   互变异构体数量:12

6、   拓扑分子极性表面积(TPSA):88.4

7、   重原子数量:14

8、   表面电荷:0

9、   复杂度:165

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:4

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