4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐

4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 基本信息
CAS号 3945-69-5 分子式 C10H19ClN4O4
分子量 294.73500 精确质量  294.10900
PSA  75.59000 LogP  -3.10440

基本信息 展开↓

CAS号:
3945-69-5
3D弹球模型:
立即前往扯扯看
分子式:
C10H19ClN4O4
分子量:
294.73500
中文名称:
4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐
英文名称:
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methyl morpholinium chloride
中文别名:
4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐;
4-(4,6-二甲氧基-1,3,5,-三嗪-2-基)-4-甲基吗啉盐酸;
氯化4-(4,6-二甲氧基-1,3,5-三嗪-2-基)-4-甲基吗啉;
4-(4,6-二甲氧基三嗪)-4-甲基吗啉盐酸盐;
4-(4,6-二甲氧基-2-均三嗪基)-4-甲基吗啉盐酸盐水合物
英文别名:
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methyl morpholinium chloride;
DMTMM Cl;
4-4-methylmorpholinium chloride;
4-(4,6-Dimethoxy[1.3.5]triazin-2-yl)-4-methylmorpholinium chloride;
KUNISHIMA COUPLING REAGENT;
DMTMM;
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
精确分子量/精确质量:
294.10900
极性分子表面积/PSA:
75.59000
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:
MFCD03613550
EINECS:
447-230-1
PubChem:
24886643
BRN:
8026872
InChI:
InChI=1/C10H17N4O3.ClH/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;/h4-7H2,1-3H3;1H/q+1;/p-1

生产制备方法及用途展开↓

制备方法


在多肽的固相或液相合成中,用于羧基的活化,效果优于或相当于常用的缩合剂。

用途简介


用途


有机中间体

物化性质展开↓

外观与性状:
白色粉末
熔点:
110-114 °C
闪点:
92.5 °C
存储条件/存储方法:

-20℃  避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

安全信息展开↓

包装等级:
III
风险类别:
8
海关代码:
2934999090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22;R34;R40
安全说明:
S26-S36/37/39-S45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C:Corrosive;

合成路线查看所有的合成路线

  • 109-02-4

    N-甲基吗啡啉

  • +

  • 3140-73-6

    2-氯-4,6-二甲氧基-1,3,5-三嗪

  • ~99%

  • 3945-69-5

    4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐

  • 3140-73-6

    2-氯-4,6-二甲氧基-1,3,5-三嗪

  • ~98%

  • 3945-69-5

    4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐

  • 109-02-4

    N-甲基吗啡啉

  • +

  • 3140-73-6

    2-氯-4,6-二甲氧基-1,3,5-三嗪

  • +

  • 107-92-6

    丁酸

  • 1423116-02-2

    4,6-dimethoxy-1,3,5-triazin-2-yl butyrate

  • +

  • 3945-69-5

    4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐

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↓

  4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-      Revision number: 5    
  methylmorpholinium Chloride
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium Chloride    
                  
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 4    
    Category 1B
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1    
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
    Harmful if swallowed
  Hazard statements
    Causes severe skin burns and eye damage
  Precautionary statements:
  [Prevention]        Do not breathe dust/fume/gas/mist/vapours/spray.    
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
  [Storage]        Store locked up.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
  4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-
  methylmorpholinium Chloride

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium Chloride    
  Percent:        >98.0%(T)    
  CAS Number:        3945-69-5    
  Synonyms:        DMTMM    
  Chemical Formula:        C10H17ClN4O3    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    induce vomiting.
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep    
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a freezer.    
    Store under inert gas.
    Protect from moisture.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-
  methylmorpholinium Chloride

Section 7. HANDLING AND STORAGE
    Heat-sensitive, Hygroscopic
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
  Hand protection:        Impervious gloves.    
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        Crystal- Powder    
  Colour:        White - Very pale yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]
  Soluble:        Methanol    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents, Bases
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-
  methylmorpholinium Chloride

Section 12. ECOLOGICAL INFORMATION
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.    
    3261
  UN-No:
  Proper shipping name:        Corrosive solid, acidic, organic, n.o.s.    
    II
  Packing group:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. 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展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:7

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积66.4

7.重原子数量:18

8.表面电荷:0

9.复杂度:236

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:2

上下游相关产品

上游产品

更多
  • 3140-73-6

    2-氯-4,6-二甲氧基-1,3,5-三嗪

  • 109-02-4

    N-甲基吗啡啉

  • 107-92-6

    丁酸

下游产品

更多
  • 103-25-3

    3-苯丙酸甲酯

  • 51987-73-6

    N-叔丁氧羰基-L-苯丙氨酸甲酯

  • 91889-76-8

    (4,6-dimethoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便