2,4-二乙氘卟啉二甲酯

2,4-二乙氘卟啉二甲酯 基本信息
CAS号 10591-31-8 分子式 C36H38N4O6
分子量 622.71000 精确质量  622.27900
PSA  143.04000 LogP  3.18000

基本信息 展开↓

CAS号:
10591-31-8
3D弹球模型:
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分子式:
C36H38N4O6
分子量:
622.71000
中文名称:
2,4-二乙氘卟啉二甲酯
英文名称:
2,4-Diacetyl deuteroporphyrin IX dimethyl ester,Dimethyl-8,13-bis(acetyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
中文别名:
2,4-二乙氘卟啉二甲酯;
2,4 -二乙氘卟啉二甲酯
英文别名:
2,4-Diacetyl deuteroporphyrin IX dimethyl ester,Dimethyl-8,13-bis(acetyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;
31,81-dioxo-mesoporphyrin-dimethyl ester;
3,8-diacetyldeuteroporphyrin dimethyl ester;
diacetyldeuteroporphyrin ix dimethyl ester;
2,4 DIACETYL DEUTEROPORPHYRIN IX DIMETHYL ESTER;
Dimethyl-8,13-bis(acetyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate;
DIMETHY-8,13-BIS(ACETYL)-3,7,12,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPIONATE;
2,4-diacetyldeuteroporphyrin dimethyl ester;
3,3'-(7,12-diacetyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid dimethyl ester;
diacetyldeuteroporphyrin IX dimethyl ester,synthetic
精确分子量/精确质量:
622.27900
极性分子表面积/PSA:
143.04000
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:
The Key: ZKDRGOFZDLLULA-HRBATZQVSA-N

物化性质展开↓

密度:
1.233g/cm3
沸点:
1069.3ºC at 760mmHg
闪点:
600.5ºC
折射率:
1.59
蒸汽压:
0mmHg at 25°C

合成路线查看所有的合成路线

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  • ~91%

  • 10591-31-8

    2,4-二乙氘卟啉二甲酯

  • 186581-53-3

    重氮甲烷

  • +

  • 4792-07-8

    3-[8,13-diacetyl-18-(2-carboxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

  • 10591-31-8

    2,4-二乙氘卟啉二甲酯

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    甲醇

  • +

  • 4792-07-8

    3-[8,13-diacetyl-18-(2-carboxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

  • 10591-31-8

    2,4-二乙氘卟啉二甲酯

MSDS 展开↓

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        DIACETYLDEUTEROPORPHYRIN IX DIMETHYL    
    ESTER, SYNTHETIC

    2 - Hazards Identification

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    DIACETYLDEUTEROPORPHYRIN IX        10591-31-8 None        None    
    DIMETHYLESTER, SYNTHETIC
    Formula        C36H38N4O6    
    Molecular Weight 622,7300 AMU

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    ALDRICH        www.molbase.com    
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

    6 - Accidental Release Measures

    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear respirator, chemical safety goggles, rubber boots, and
    heavy rubber gloves.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Avoid inhalation. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed. Store in a cool dry
    place.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash contaminated clothing before reuse. Wash thoroughly after
    handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Respiratory protection is not required. Where
    protection is desired, use multi-purpose combination (US) or type
    ABEK (EN 14387) respirator cartridges.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        188,000 °C    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    ALDRICH        www.molbase.com    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides.

    11 - Toxicological Information

    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Eye Contact: May cause eye irritation.
    Multiple Routes: May be harmful by inhalation, ingestion, or
    skin absorption.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Dissolve or mix the material with a combustible solvent and burn
    in a chemical incinerator equipped with an afterburner and
    scrubber. Observe all federal, state, and local environmental
    regulations.

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    15 - Regulatory Information
    ALDRICH        www.molbase.com    

    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    16 - Other Information

    WARRANTY
    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. Inc.,
    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.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    ALDRICH        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

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