亚胺二乙酸二钠盐单水合物

亚胺二乙酸二钠盐单水合物 基本信息
CAS号 17593-73-6 分子式 C4H7NNa2O5
分子量 195.08200 精确质量  195.01200
PSA  101.52000 LogP  -3.59760

基本信息 展开↓

CAS号:
17593-73-6
3D弹球模型:
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分子式:
C4H7NNa2O5
分子量:
195.08200
中文名称:
亚胺二乙酸二钠盐单水合物
英文名称:
IMINODIACETIC ACID DISODIUM SALT HYDRATE
中文别名:
亚胺二乙酸二钠盐单水合物;
亚氨基二乙酸钠;
亚胺二乙酸二钠盐水合物
英文别名:
IMINODIACETIC ACID DISODIUM SALT HYDRATE;
Iminodi-essigsaeure,Dinatriumsalz;
SodiuM iMinodiacetate Monohydrate;
Iminodiacetic acid sodium salt;
IMINODIACETIC ACID D;
DISODIUM IMINODIACETATE MONOHYDRATE;
iminodi-acetic acid,disodium salt;
Iminodiacetic acid disodium salt hydrate;
DISODIUM IMINODIACETATE HYDRATE;
sodiumiminodiacetate;
DIGLYCINE DISODIUM SALT;
IMINODIACETIC ACID DISODIUM
精确分子量/精确质量:
195.01200
极性分子表面积/PSA:
101.52000
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:
MFCD00150689
EINECS:
213-181-8
PubChem:
24880402
BRN:
3790611
InChI:
The Key: XMBFRMVQIVTRJX-UHFFFAOYSA-L

生产制备方法及用途展开↓

制备方法


本品可以用作农药中间体,用于合成除草剂草甘膦。

用途简介


物化性质展开↓

外观与性状:
黄色结晶粉末
密度:
1.436g/cm3
熔点:
180 °C
沸点:
370.6ºC at 760mmHg
闪点:
177.9ºC
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:氧化物

其它信息:

1.       性状:晶体

2.       密度(g/mL,25/4):1.273

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):38

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5mmHg):46-47

7.       折射率:n20D 1.379(lit.)

8.       闪点(ºF):101

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

海关代码:
2922499990
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-S24/25-S23
安全标志:
S23:不要吸入蒸汽。
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。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi: Irritant;

化学图谱

  1. 二乙酸亚胺二钠盐水合物红外图谱(IR1)

  2. 二乙酸亚胺二钠盐水合物红外图谱(IR2)

  3. 二乙酸亚胺二钠盐水合物核磁图(13CNMR)

  4. 二乙酸亚胺二钠盐水合物核磁图(1HNMR)

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毒理性展开↓

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Name: Iminodiacetic Acid Disodium Salt Monohydrate 97% Material Safety Data Sheet
Synonym: Disodium Iminodiacetate Monohydrat
CAS: 17593-73-6
Section 1 - Chemical Product   MSDS Name:Iminodiacetic Acid Disodium Salt Monohydrate 97% Material Safety Data Sheet
Synonym:Disodium Iminodiacetate Monohydrat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17593-73-6 Iminodiacetic Acid, Disodium Salt Mono 97 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.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation.
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 immediately.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid if irritation or symptoms occur.
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. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17593-73-6: 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: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 180 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: moderately soluble
Specific Gravity/Density:
Molecular Formula: C4H5NO4Na2.H2O
Molecular Weight: 195.08

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 17593-73-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Iminodiacetic Acid, Disodium Salt Monohydrate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 17593-73-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17593-73-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17593-73-6 is not on the TSCA Inventory because it is a hydrate.
It is considered to be listed if the CAS number for the anhydrous form
is on the inventory (40CFR720.3(u)(2)).


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922499990

概述:
2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) 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、   氢键供体数量:2

2、   氢键受体数量:6

3、   可旋转化学键数量:2

4、   拓扑分子极性表面积(TPSA):93.3

5、   重原子数量:12

6、   表面电荷:0

7、   复杂度:96.7

8、   同位素原子数量:0

9、   确定原子立构中心数量:0

10、   不确定原子立构中心数量:0

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:4

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