2,4-二氯-5-碘嘧啶

2,4-二氯-5-碘嘧啶 基本信息
CAS号 13544-44-0 分子式 C4HCl2IN2
分子量 274.87500 精确质量  273.85600
PSA  25.78000 LogP  2.38800

基本信息 展开↓

CAS号:
13544-44-0
3D弹球模型:
立即前往扯扯看
分子式:
C4HCl2IN2
分子量:
274.87500
中文名称:
2,4-二氯-5-碘嘧啶
英文名称:
2,4-Dichloro-5-iodopyrimidine
中文别名:
2,4-二氯-5-碘嘧啶;
5-碘-2,4-二氯嘧啶
英文别名:
2,4-Dichloro-5-iodopyrimidine;
2,4-dichloro-5-iodopyrimidine;
2,4-Dichloro-5-Iodopyrimidine
精确分子量/精确质量:
273.85600
极性分子表面积/PSA:
25.78000
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。
InChI:
InChI=1/C4HCl2IN2/c5-3-2(7)1-8-4(6)9-3/h1H

生产制备方法及用途展开↓

制备方法


医药生物化工中间体。

用途简介


物化性质展开↓

外观与性状:
灰白色固体
密度:
2.255 g/cm3
沸点:
310.2ºC at 760 mmHg
闪点:
141.4ºC
折射率:
1.662
蒸汽压:
0.00111mmHg at 25°C

安全信息展开↓

海关代码:
2933599090

合成路线查看所有的合成路线

  • 696-07-1

    5-碘尿嘧啶

  • ~90%

  • 13544-44-0

    2,4-二氯-5-碘嘧啶

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : 2,4-Dichloro-5-iodopyrimidine    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    According to Regulation (EC) No1272/2008
    Acute toxicity, Oral (Category 3)
    Skin irritation (Category 2)
    Serious eye damage (Category 1)
    Specific target organ toxicity - single exposure (Category 3)
    According to European Directive 67/548/EEC as amended.
    Harmful if swallowed. Irritating to respiratory system and skin. Risk of serious damage to eyes.
  Label elements
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H301        Toxic if swallowed.    
    H315        Causes skin irritation.    
    H318        Causes serious eye damage.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    P280        Wear protective gloves/ eye protection/ face protection.    
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Hazard symbol(s)
    Xn        Harmful    
    R-phrase(s)
    R22        Harmful if swallowed.    
    R37/38        Irritating to respiratory system and skin.    
    R41        Risk of serious damage to eyes.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S39        Wear eye/face protection.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Formula        : C4HCl2IN2    
    Molecular Weight        : 274,87 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  2,4-Dichloro-5-iodopyrimidine
    13544-44-0        -        -        Acute Tox. 3; Skin Irrit. 2; Eye        -    
    Dam. 1; STOT SE 3; H301,
    H315, H318, H335
    Xn, R22 - R37/38 - R41
    For the full text of the H-Statements mentioned in this Section, see Section 16.

Section 4. FIRST AID MEASURES
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

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
    Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
    ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
    protection.
  Conditions for safe storage
    Keep container tightly closed in a dry and well-ventilated place. Store in cool place.
    Handle and store under inert gas. Light sensitive.

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator
    type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering controls. If the
    respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and
    components tested and approved under appropriate government standards such as NIOSH (US) or CEN
    (EU).
  Hand protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without
    touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves
    after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
    standard EN 374 derived from it.
  Eye protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate
    government standards such as NIOSH (US) or EN 166(EU).
  Skin and body protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected according
    to the concentration and amount of the dangerous substance at the specific workplace.
  Hygiene measures
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the
    product.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        solid    
  Safety data
    pH no data available
    Melting point        65 - 69 °C    
    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    
    Partition coefficient: log Pow: 2,635
    n-octanol/water

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),
    Hydrogen chloride gas, Hydrogen iodide

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
    Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals.
  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
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion        Toxic if swallowed.    
  Skin        May be harmful if absorbed through skin. Causes skin irritation.    
  Eyes        Causes eye burns.    
  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: Not 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
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional
    waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent
    and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  ADR/RID
    UN-Number: 2811 Class: 6.1        Packing group: III    
    Proper shipping name: TOXIC SOLID, ORGANIC, N.O.S. (2,4-Dichloro-5-iodopyrimidine)
  IMDG
    UN-Number: 2811 Class: 6.1        Packing group: III        EMS-No: F-A, S-A    
    Proper shipping name: TOXIC SOLID, ORGANIC, N.O.S. (2,4-Dichloro-5-iodopyrimidine)
    Marine pollutant: No
  IATA
    UN-Number: 2811 Class: 6.1        Packing group: III    
    Proper shipping name: Toxic solid, organic, n.o.s. (2,4-Dichloro-5-iodopyrimidine)

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

Section 16. OTHER INFORMATION
  Text of H-code(s) and R-phrase(s) mentioned in Section 3
    Acute Tox.        Acute toxicity    
    Eye Dam.        Serious eye damage    
    H301        Toxic if swallowed.    
    H315        Causes skin irritation.    
    H318        Causes serious eye damage.    
    H335        May cause respiratory irritation.    
    Skin Irrit.        Skin irritation    
    STOT SE        Specific target organ toxicity - single exposure    
    Xn        Harmful    
    R22        Harmful if swallowed.    
    R37/38        Irritating to respiratory system and skin.    
    R41        Risk of serious damage to eyes.    
  Further information
    Copyright 2010 Co. License granted to make unlimited paper copies for internal use only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be used
    only as a guide. The information in this document is based on the present state of our knowledge and is
    applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee
    of the properties of the product. Co., shall not be held liable for any damage resulting from
    handling or from contact with the above product. See reverse side of invoice or packing slip for additional
    terms and conditions of sale.

海关数据查看详细

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%

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):2.8

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:25.8

7.重原子数量:9

8.表面电荷:0

9.复杂度:103

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

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