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774-07-2生产厂家

774-07-2价格

相关CAS号：
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849349-65-1 127437-46-1

774-07-2

774-07-2结构式
774-07-2结构式

化源商城直购

中文名 4-氨基-2-巯基嘧啶-5-羧酸乙酯
英文名 Ethyl 4-Amino-2-Mercaptopyrimidine-5-Carboxylate
中文别名 4-氨基-2-巯基嘧啶-5-甲基乙酯
2-巯基-4-氨基-5-乙氧甲酰基嘧啶
乙基 4-氨基-2-巯基嘧啶-5-甲酸酯
英文别名 5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester
MFCD00023227
5-pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-, ethyl ester
ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate
ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate
ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
密度 1.4±0.1 g/cm3
沸点 386.0±45.0 °C at 760 mmHg
熔点 261-263°C
分子式 C7H9N3O2S
分子量 199.230
闪点 187.2±28.7 °C
精确质量 199.041550
PSA 116.90000
LogP -0.76
外观性状 白色固体
蒸汽压 0.0±0.9 mmHg at 25°C
折射率 1.624
储存条件

保持容器密封，储存在阴凉，干燥的地方

稳定性

常温常压下稳定，避免氧化物接触

分子结构

1、 摩尔折射率：51.25

2、 摩尔体积（m3/mol）：145.1

3、 等张比容（90.2K）：414.5

4、 表面张力（dyne/cm）：66.4

5、 介电常数：

6、 偶极距（10 -24cm 3）：

7、 极化率：20.31

计算化学

1.疏水参数计算参考值（XlogP）:0.4

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:12

6.拓扑分子极性表面积109

7.重原子数量:13

8.表面电荷:0

9.复杂度:309

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
更多

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）：261-263°C

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

Name: Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 774-07-2
Section 1 - Chemical Product MSDS Name:Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
774-07-2 Ethyl 4-amino-2-mercaptopyrimidine-5-c 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with 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.
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. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 774-07-2: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 261 - 263 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: C7H9N3O2S
Molecular Weight: 199.23
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 774-07-2: UV7720000 LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.
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# 774-07-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 774-07-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 774-07-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

急性毒性：小鼠静脉LD50：320mg/kg

生态学数据:

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV7720000
CHEMICAL NAME :
5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
CAS REGISTRY NUMBER :
774-07-2
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H9-N3-O2-S
MOLECULAR WEIGHT :
199.25
WISWESSER LINE NOTATION :
T6N CNJ BSH DZ EVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03521

危害码 (欧洲) Xi:Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S26-S36
RTECS号 UV7720000
海关编码 2933599090
17356-08-0结构式

17356-08-0

94-05-3结构式

94-05-3

~74%

774-07-2结构式

774-07-2

文献：Scherbinina; Dar'In; Lobanov Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 9 p. 1109 - 1115
42466-67-1结构式

42466-67-1

17356-08-0结构式

17356-08-0

~%

774-07-2结构式

774-07-2

文献：Journal of the American Chemical Society, , vol. 78, p. 5294,5296 Journal of Organic Chemistry, , vol. 21, p. 567,571 Journal of the American Chemical Society, , vol. 67, p. 2197,2200 Org.Synth.Coll.Vol.IV <1963>566
海关编码 2933599090
中文概述 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
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%

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