1,3,5-三嗪-2,4,6-三甲酸三乙酯

1,3,5-三嗪-2,4,6-三甲酸三乙酯 基本信息
CAS号 898-22-6 分子式 C12H15N3O6
分子量 297.26400 精确质量  297.09600
PSA  117.57000 LogP  0.40170

基本信息 展开↓

CAS号:
898-22-6
3D弹球模型:
立即前往扯扯看
分子式:
C12H15N3O6
分子量:
297.26400
中文名称:
1,3,5-三嗪-2,4,6-三甲酸三乙酯
英文名称:
triethyl 1,3,5-triazine-2,4,6-tricarboxylate
中文别名:
1,3,5-三嗪-2,4,6-三甲酸三乙酯;
1,3,5三乙酯三嗪-2,4,6-三羧酸
英文别名:
triethyl 1,3,5-triazine-2,4,6-tricarboxylate;
triethyl s-triazine-2,4,6-tricarboxylate;
[1,3,5]triazine-2,4,6-tricarboxylic acid triethyl ester;
[1,3,5]Triazin-2,4,6-tricarbonsaeure-triaethylester;
2,4,6-Triethoxycarbonyl-1,3,5-triazine;
2,4,6-tris(ethoxycarbonyl)-1,3,5-triazine
精确分子量/精确质量:
297.09600
极性分子表面积/PSA:
117.57000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD01419268
PubChem:
24880876
InChI:
The Key: LKNPNZKIOSOWES-UHFFFAOYSA-N

物化性质展开↓

密度:
1.279g/cm3
熔点:
170-174ºC(lit.)
沸点:
451.1ºC at 760 mmHg
闪点:
226.6ºC
折射率:
1.512
存储条件/存储方法:

常温 , 避光,通风干燥处

稳定性相关:

常温常压下稳定

其它信息:

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):170-174

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

安全信息展开↓

海关代码:
2933699090
安全说明:
S22-S24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 623-49-4

    氰基甲酸乙酯

  • ~99%

  • 898-22-6

    1,3,5-三嗪-2,4,6-三甲酸三乙酯

  • 108-94-1

    环己酮

  • +

  • 124292-87-1

    124292-87-1

  • ~32%

  • 898-22-6

    1,3,5-三嗪-2,4,6-三甲酸三乙酯

  • +

  • 124292-86-0

    124292-86-0

  • 434-45-7

    2,2,2-三氟苯乙酮

  • +

  • 124292-87-1

    124292-87-1

  • 898-22-6

    1,3,5-三嗪-2,4,6-三甲酸三乙酯

  • +

  • 124292-93-9

    2-phenyl-4-propan-2-yloxy-2-(trifluoromethyl)-1,3-oxazol-5-one

毒理性展开↓

生态数据:

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

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : Triethyl 1,3,5-triazine-2,4,6-tricarboxylate    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a dangerous substance according to GHS.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Formula        : C12H15N3O6    
    Molecular Weight        : 297,26 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  Triethyl-1,3,5-triazine-2,4,6-tricarboxylate
    898-22-6        -        -        -        -    

Section 4. FIRST AID MEASURES
  If inhaled
    If breathed in, move person into fresh air. If not breathing give artificial respiration
  In case of skin contact
    Wash off with soap and plenty of water.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special protective equipment for fire-fighters
    Wear self contained breathing apparatus for fire fighting if necessary.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions
    Avoid dust formation.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Keep in suitable, closed containers for disposal.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
    protection.
  Conditions for safe storage
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use
    type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved
    under appropriate government standards such as NIOSH (US) or CEN (EU).
  Hand protection
    For prolonged or repeated contact use protective gloves.
  Eye protection
    Safety glasses
  Hygiene measures
    General industrial hygiene practice.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        solid    
  Safety data
    pH no data available
    Melting point        170 - 174 °C - lit.    
    Boiling point        no data available    
    Flash point        no data available    
    Ignition temperature no data available
    Lower explosion limit no data available
    Upper explosion limit no data available
    Water solubility        no data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    no data available
  Materials to avoid
    Strong oxidizing agents
  Hazardous decomposition products
    Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx)

Section 11. TOXICOLOGICAL INFORMATION
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes
    May cause eye irritation.
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.
  Additional Information
    RTECS: no data available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Product
    Observe all federal, state, and local environmental regulations.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  ADR/RID
    Not dangerous goods
  IMDG
    Not dangerous goods
  IATA
    Not dangerous goods



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933699090

概述:
2933699090 其他结构上含非稠合三嗪环化合物. 增值税率:17.0% 退税率:9.0% 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:
2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):1.6

2.氢键供体数量:0

3.氢键受体数量:9

4.可旋转化学键数量:9

5.互变异构体数量:无

6.拓扑分子极性表面积118

7.重原子数量:21

8.表面电荷:0

9.复杂度:320

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

上下游相关产品

上游产品

更多
  • 623-49-4

    氰基甲酸乙酯

  • 108-94-1

    环己酮

  • 100-52-7

    苯甲醛

  • 4474-17-3

    Cyanformylchlorid

  • 434-45-7

    2,2,2-三氟苯乙酮

下游产品

更多
  • 3148-73-0

    N,N'-二乙酰基肼

  • 40253-46-1

    1-acetylethoxycarbonylformamidrazone

  • 91173-78-3

    diethyl 1H-1,2,4-triazole-3,5-dicarboxylate

  • 35045-13-7

    [4,6-bis(hydroxymethyl)-1,3,5-triazin-2-yl]methanol

  • 4329-75-3

    1,2-二异烟酰基肼

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便