2,4,6-Triaminopyrimidine

物化性质

外观与性状：

灰白色粉末

密度：

1.512 g/cm3

熔点：

249-251 °C(lit.)

沸点：

530.8ºC at 760 mmHg

闪点：

308.2ºC

水溶解性：

36.5 g/L (20 ºC)

折射率：

1.793

蒸汽压：

2.39E-11mmHg at 25°C

存储条件/存储方法：

保持容器密封，储存在阴凉，干燥的地方。

稳定性相关：

本品具有刺激作用，万一接触眼睛，立即使用大量清水冲洗并送医诊治，操作人员需要穿戴合适的防护用具。

其它信息：

1. 性状：针状晶体或白色粉末

2. 密度（g/mL,25℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：250~253

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,23mmHg）：未确定

7. 折射率(n20/D)：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：易溶于水，水溶性36.5g/L（20℃），难溶于醇和醚。水溶液呈碱性。

安全信息

外观与性状：

灰白色粉末

密度：

1.512 g/cm3

熔点：

249-251 °C(lit.)

沸点：

530.8ºC at 760 mmHg

闪点：

308.2ºC

水溶解性：

36.5 g/L (20 ºC)

折射率：

1.793

蒸汽压：

2.39E-11mmHg at 25°C

存储条件/存储方法：

保持容器密封，储存在阴凉，干燥的地方。

稳定性相关：

本品具有刺激作用，万一接触眼睛，立即使用大量清水冲洗并送医诊治，操作人员需要穿戴合适的防护用具。

其它信息：

1. 性状：针状晶体或白色粉末

2. 密度（g/mL,25℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：250~253

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,23mmHg）：未确定

7. 折射率(n20/D)：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：易溶于水，水溶性36.5g/L（20℃），难溶于醇和醚。水溶液呈碱性。

毒理性

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境。

MSDS

Name:	2 4 6-Triaminopyrimidine 97% Material Safety Data Sheet
Synonym:
CAS:	1004-38-2

Section 1 - Chemical Product   MSDS Name:2 4 6-Triaminopyrimidine 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1004-38-2	2,4,6-Triaminopyrimidine, 97%	97%	213-720-7

Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes 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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid.
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.
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# 1004-38-2: 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: slightly beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 249 - 251 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: slightly soluble
Specific Gravity/Density:
Molecular Formula: C4H7N5
Molecular Weight: 125.13
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1004-38-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4,6-Triaminopyrimidine, 97% - 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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1004-38-2: No information available.
Canada
CAS# 1004-38-2 is listed on Canada's DSL List.
CAS# 1004-38-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1004-38-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2933599090

概述：

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

摘要/Summary：

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：35.14

2、 摩尔体积（cm³/mol）：82.7

3、 等张比容（90.2K）：273.0

4、 表面张力（dyne/cm）：118.7

5、 介电常数：不可用

6、 偶极距（10^-24cm³）：不可用

7、 极化率：13.93

计算化学数据

1.疏水参数计算参考值（XlogP）:-0.8

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:10

6.拓扑分子极性表面积104

7.重原子数量:9

8.表面电荷:0

9.复杂度:85

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