二乙烯三胺五乙酸

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

二乙烯三胺五乙酸 基本信息

中文名称:
二乙烯三胺五乙酸 
中文别名:
二乙烯三胺五醋酸;
二亚乙基三胺五乙酸;
二乙烯三胺五乙酸;
二乙撑三胺五乙酸 
英文名称:
Glycine,N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-
英文别名:
pentetic acid;
[9]phenanthryl-propyl-amine;
9-Propylamino-phenanthren;
N-n-propyl-9-phenanthrenamine;
diethylenetriamine-N,N,N',N'',N''-pentaacetic acid;
Diethylenetriaminepentaacetic acid;
N,N-bis[2-[bis(carboxymethyl)-amino]ethyl]glycine;
9-Phenanthrenamine,N-propyl;
[9]Phenanthryl-propyl-amin;
Pentetic acid;
diethylenetrinitrilopentaacetic acid;
N,N,N',N'',N''-diethylenetriaminepentaacetic acid 
CAS No.:
67-43-6
分 子 式:

C14H23N3O10

分 子 量:
393.35
精确分子量:
393.13800
PSA:
196.22000
MDL:
MFCD00004289
EINECS:
200-652-8
BRN:
1810219
InChI:
InChI=1/C4H13N3.5C2H4O2/c5-1-3-7-4-2-6;5*1-2(3)4/h7H,1-6H2;5*1H3,(H,3,4)
危险品标志:

IrritantXiDangerousN

风险术语:

R36;R51/53;R36/37/38;

安全术语:

S26;S36;S61;S37/39;

分子结构式:
SDS:
查看

二乙烯三胺五乙酸 制备方法及用途

制备方法

1.由二乙三胺与一氯乙酸反应而得。将氯乙酸与氢氧化钠中和后,在低温下让氯化酸钠与二亚乙基三胺反应,生成的产物再经过净化处理最后得到产品DTPA。 2.二亚乙基三胺与氯乙酸缩合得二亚乙基三胺五乙酸。 3.将283.7kg一氯乙酸投入反应釜中,加220L蒸馏水搅拌溶解。于15℃滴加40%的NaOH 溶液,300kg,约1.5h加完。再在搅拌下滴加51.6kg二亚乙基三胺,滴加过程中把温度控制在2 0℃左右。接着继续滴加120kgNaOH水溶液(40%) 。40℃反应10~12h。将反应液冷至5~10℃。搅拌下滴加260L浓盐酸,调ph值至1.6~1.7,放置过夜,滤出结晶,用400L冰水洗涤结晶,真空干 燥,得130kg左右的粗品。用蒸馏水脱色得纯品。反应式如下:

合成制备方法

1.由二乙三胺与一氯乙酸反应而得。将氯乙酸与氢氧化钠中和后,在低温下让氯化酸钠与二亚乙基三胺反应,生成的产物再经过净化处理最后得到产品DTPA。

2.二亚乙基三胺与氯乙酸缩合得二亚乙基三胺五乙酸。

3.将283.7kg一氯乙酸投入反应釜中,加220L蒸馏水搅拌溶解。于15℃滴加40%的 NaOH 溶液,300kg,约1.5h加完。再在搅拌下滴加51.6kg二亚乙基三胺,滴加过程中把温度控制在2 0℃左右。接着继续滴加120kgNaOH水溶液(40%) 。40℃反应10~12h。将反应液冷至5~10℃。搅拌下滴加260L浓盐酸,调ph值至1.6~1.7,放置过夜,滤出结晶,用400L冰水洗涤结晶,真空干
燥,得130kg左右的粗品。用蒸馏水脱色得纯品。反应式如下:

用途简介

1.该品为螯合滴定剂。作为络合剂类药物,用于放射性同位素和重金属中毒治疗。络合剂。络合滴定钼、硫酸盐和稀土金属,电流滴定法滴定铜。

用途

1.该品为螯合滴定剂。作为络合剂类药物,用于放射性同位素和重金属中毒治疗。络合剂。络合滴定钼、硫酸盐和稀土金属,电流滴定法滴定铜。

二乙烯三胺五乙酸 物化性质

外观与性状:
固体
密度:
1.56
熔点:
219-220 °C(lit.)
沸点:
721.1ºC at 760 mmHg
闪点:
200 °C
水溶解性:
5 g/L (20 ºC)
存储条件/存储方法:

本品应密封于阴凉干燥处避光保存。

稳定性相关:

二亚乙基三胺五乙酸(DTPA)是一种重要的氨基螯合剂,它对金属离子尤其是高价态显色金属离子的螯合能力特别强,因而在清洗行业有着重要的应用。

其它信息:

1.       性状:白色结晶或结晶状粉末

2.       密度(g/mL,25/4℃):1.56

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):230(分解)

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):200

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:溶于热水和碱溶液,微溶于冷水,不溶于醇醚等有机溶剂。

二乙烯三胺五乙酸 安全信息

海关代码:
29224995
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R36/37/38;R51/53
安全说明:
S26-S36-S61-S37/39
RTECS号:
MB8205000
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。
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:
Xi:Irritant;N:Dangerousfortheenvironment;

二乙烯三胺五乙酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MB8205000
CHEMICAL NAME :
Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-
CAS REGISTRY NUMBER :
67-43-6
BEILSTEIN REFERENCE NO. :
1810219
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C14-H23-N3-O10
MOLECULAR WEIGHT :
393.40
WISWESSER LINE NOTATION :
QV1N1VQ2N1VQ2N1VQ1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
587 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - aggression Lungs, Thorax, or Respiration - chronic pulmonary edema
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 32,37,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
543 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 57,212,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M3891 No. of Facilities: 735 (estimated) No. of Industries: 6 No. of Occupations: 9 No. of Employees: 2599 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3891 No. of Facilities: 1070 (estimated) No. of Industries: 9 No. of Occupations: 14 No. of Employees: 10918 (estimated) No. of Female Employees: 7008 (estimated)
毒理学数据:

急性毒性:大鼠腹腔LD50:587 mg/kg;小鼠腹腔LC50:543 mg/kg;

二乙烯三胺五乙酸 MSDS

Name: Diethylenetriaminepentaacetic acid 97% Material Safety Data Sheet
Synonym: (Carboxymethylimino)bis(ethylenenitrilo)tetraacetic acid; Pentetic acid; DTP
CAS: 67-43-6
Section 1 - Chemical Product   MSDS Name:Diethylenetriaminepentaacetic acid 97% Material Safety Data Sheet
Synonym:(Carboxymethylimino)bis(ethylenenitrilo)tetraacetic acid; Pentetic acid; DTP

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
67-43-6 Diethylenetriaminepentaacetic acid, 97 97% 200-652-8
Hazard Symbols: XI
Risk Phrases: 36

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
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.
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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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.
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. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. 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.
Exposure Limits CAS# 67-43-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 220 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: 5 G/L (20C)
Specific Gravity/Density:
Molecular Formula: C14H23N3O10
Molecular Weight: 393.34

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:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 67-43-6: MB8205000 LD50/LC50:
Not available.
Carcinogenicity:
Diethylenetriaminepentaacetic acid, 97% - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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 Irritating to eyes.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 39 Wear eye/face protection.
WGK (Water Danger/Protection)
CAS# 67-43-6: 1
Canada
CAS# 67-43-6 is listed on Canada's DSL List.
CAS# 67-43-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 67-43-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

二乙烯三胺五乙酸 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:85.89

2、   摩尔体积(cm3/mol):254.5

3、   等张比容(90.2K):775.1

4、   表面张力(dyne/cm):86.0

5、   极化率(10-24cm3):34.05

计算化学数据

1.疏水参数计算参考值(XlogP):-8.5

2.氢键供体数量:5

3.氢键受体数量:13

4.可旋转化学键数量:16

5.互变异构体数量:无

6.拓扑分子极性表面积196

7.重原子数量:27

8.表面电荷:0

9.复杂度:481

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:1

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