1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯,53554-29-3，生产厂家，价格-洛克化工网移动版

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯

中文名称：: 1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯

中文别名：: 1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯;
4-羟基-2-甲硫基嘧啶-5-甲酸乙酯;
2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯;
乙基-4-羟基-2-(甲硫基)嘧啶-5-羧酸乙酯;
2-甲硫基-4-羟基嘧啶-5-甲酸乙酯;
2-甲硫基-4-羟基-5-嘧啶甲酸乙酯

英文名称：: 5-Pyrimidinecarboxylicacid, 1,6-dihydro-2-(methylthio)-6-oxo-, ethyl ester

英文别名：: 5-Pyrimidinecarboxylic acid, 1,6-dihydro-2-(methylthio)-6-oxo-, ethyl ester;
Ethyl 4-hydroxy-2-methylthio-5-pyrimidinecarboxylate;
Ethyl 1,4-dihydro-2-(methylthio)-4-oxo-5-pyrimidinecarboxylate;
ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate;
Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate

CAS No.：: 53554-29-3

分子式：: C₈H₁₀N₂O₃S

分子量：: 214.24

精确分子量：: 214.04122

PSA：: 93.1 A2

InChI：: InChI=1/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)3

分子结构式：

SDS：: 查看

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯物化性质

密度：: 1.37±0.1 g/cm3
熔点：: 129-130 °C
沸点：: 340.4ºC at 760mmHg
闪点：: 159.7ºC
水溶解性：: Slightly Soluble (1.5 g/L)
折射率：: 1.601

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯安全信息

海关代码：: 2933599090
危险标志：: Xi

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯 MSDS

Material Safety Data Sheet

Section 1. Identiﬁcation of the substance
Product Name: Ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
Synonyms:

Section 2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: Ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
CAS number: 53554-29-3

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ﬁghting measures
    In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualiﬁed
    in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speciﬁed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C8H10N2O3S
    Molecular weight:        214.2

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ﬂames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯海关数据

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%

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:0.6

2.氢键供体数量:1

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:5

6.拓扑分子极性表面积:93.1

7.重原子数量:14

8.表面电荷:0

9.复杂度:323

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

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯上游产品

2-甲基-2-疏基硫酸脲乙氧基甲叉丙二酸二乙酯 S-甲基异硫脲盐酸盐 2-硫代尿嘧啶-5-甲酸乙酯硫酸二甲酯

1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯下游产品

ethyl 4-anilino-2-methylsulfanylpyrimidine-5-carboxylate 2-硫代尿嘧啶-5-甲酸乙酯 4-氯-2-甲硫基嘧啶-5-羧酸乙酯 4-羟基-2-(苯基氨基)嘧啶-5-羧酸 4-甲氧基-2-(甲基氨基)-5-嘧啶羧酸