5-亚硝基-2,4,6-三氨基嘧啶

  • 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

5-亚硝基-2,4,6-三氨基嘧啶 基本信息

中文名称:
5-亚硝基-2,4,6-三氨基嘧啶 
中文别名:
5-亚硝基-2,4,6-三氨基嘧啶;
5-硝基-2,4,6-三氨基嘧啶;
2,4,6-三氨基-5-亚硝基嘧啶;
2,4,6-三氨基-5-亚甲基嘧啶;
氨苯蝶啶杂质A 
英文名称:
2,4,6-Pyrimidinetriamine,5-nitroso-
英文别名:
5-Nitroso-2,4,6-triaminopyrimidine;
2,4,6-triamino-5-nitroso-pyrimidine;
IFLAB-BB F1918-0051;
6-pyrimidinetriamine,5-nitroso-4;
6-triaMine;
5-nitroso-pyrimidine-2,4,6-triamine;
5-nitroso-pyrimidine-2,4,6-triyltriamine;
5-Nitroso-2,4,6-tria;
5-Nitroso-pyriMidine-2;
2,4,6-Triamino-5-nitrosopyrimidine;
TRIAMINO-5-NITROSOPYRIMIDINE;
5-Nitroso-pyrimidin-2,4,6-triyltriamin;
5-Nitroso-2 
CAS No.:
1006-23-1
分 子 式:

C4H6N6O

分 子 量:
154.13
精确分子量:
154.06000
PSA:
133.27000
EINECS:
213-742-7
InChI:
InChI=1/C4H6N6O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)
危险品标志:

 

风险术语:

R36/37/38

安全术语:

S24/25;

分子结构式:
SDS:
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5-亚硝基-2,4,6-三氨基嘧啶 制备方法及用途

制备方法

由2,4,6-三氨基嘧啶经亚硝化而得。将2,4,6-三氨基嘧啶及亚硝酸钠投入冰水中,在10℃以下滴加盐酸,保持pH=4.5-4.8,于20℃以下反应1h。过滤,洗涤,干燥,得5-亚硝基-2,6-三氨基嘧啶,收率50%以上。

合成制备方法

2,4,6-三氨基嘧啶经亚硝化而得。将2,4,6-三氨基嘧啶及亚硝酸钠投入冰水中,在10以下滴加盐酸,保持pH=4.5-4.8,于20以下反应1h。过滤,洗涤,干燥,得5-亚硝基-2,6-三氨基嘧啶,收率50%以上。

用途简介

作为药物氨苯喋啶、氨蝶呤的中间体。用作医药中间体

用途

作为药物氨苯喋啶、氨蝶呤的中间体。用作医药中间体

5-亚硝基-2,4,6-三氨基嘧啶 物化性质

外观与性状:
粉红色固体
密度:
2.19 g/cm3
熔点:
300 °C
沸点:
602.9ºC at 760 mmHg
闪点:
318.4ºC
折射率:
1.834
蒸汽压:
3.78E-15mmHg at 25°C
存储条件/存储方法:

储存在冷干燥的条件下 ,通风的地区远离加热和不相容的物质,密封保存

稳定性相关:

常温常压下稳定,避免强氧化剂接触

其它信息:

1.       性状:固体

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):300

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,6mmHg):未确定

7.       折射率(n20/D)未确定

8.       闪点(ºF):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

5-亚硝基-2,4,6-三氨基嘧啶 安全信息

危险类别码:
R36/37/38
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xn

5-亚硝基-2,4,6-三氨基嘧啶 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储存

5-亚硝基-2,4,6-三氨基嘧啶 MSDS

Name: 5-Nitroso-2 4 6-triaminopyrimidine Material Safety Data Sheet
Synonym:
CAS: 1006-23-1
Section 1 - Chemical Product   MSDS Name:5-Nitroso-2 4 6-triaminopyrimidine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1006-23-1 5-Nitroso-2,4,6-pyrimidinetriamine 100 213-742-7
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause digestive tract disturbances. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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:
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:
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 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:

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 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 or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. 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# 1006-23-1: 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: pink
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 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:
Specific Gravity/Density:
Molecular Formula: C4H6N6O
Molecular Weight: 154.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
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# 1006-23-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Nitroso-2,4,6-pyrimidinetriamine - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1006-23-1: No information available.
Canada
CAS# 1006-23-1 is listed on Canada's DSL List.
CAS# 1006-23-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1006-23-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

5-亚硝基-2,4,6-三氨基嘧啶 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:34.18

2、   摩尔体积m3/mol70.0         

3、   等张比容90.2K240.4

4、   表面张力dyne/cm138.4

5、   介电常数:不可用

6、   偶极距10-24cm3:不可用

7、   极化率:13.55

计算化学数据

1.疏水参数计算参考值(XlogP):-0.9

2.氢键供体数量:3

3.氢键受体数量:7

4.可旋转化学键数量:0

5.互变异构体数量:15

6.拓扑分子极性表面积133

7.重原子数量:11

8.表面电荷:0

9.复杂度:140

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

5-亚硝基-2,4,6-三氨基嘧啶 上游产品

5-亚硝基-2,4,6-三氨基嘧啶 下游产品

5-亚硝基-2,4,6-三氨基嘧啶 表征图谱

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