2403-53-4 (2-(4-硝基苯基)-1,3-二氧戊环,2-(4-Nitrophenyl)-1,3-dioxolane)

CAS号:
2403-53-4
中文名称:
2-(4-硝基苯基)-1,3-二氧戊环
英文名称:
2-(4-Nitrophenyl)-1,3-dioxolane
分子式:
C9H9NO4
分子量:
195.172062635422

2-(4-硝基苯基)-1,3-二氧戊环(2403-53-4)名称与标识符

名称

中文别名:
2-(4-硝基苯基)-1,3-二氧戊环;
英文别名:
1,3-Dioxolane,2-(4-nitrophenyl)-;2-(4-nitrophenyl)-1,3-Dioxolane;1, 2-(p-nitrophenyl)-;2-(4-nitrophenyl)-[1,3]-dioxolane;2-(4'-nitrophenyl)-1,3-dioxolane;2-(p-Nitrophenyl)-1,3-dioxolane;2-[4'-nitrophenyl]-1,3-dioxolane;4-(1,3-dioxalan-2-yl)nitrobenzene;4-nitrobenzaldehyde ethylene acetal;AC1L6GTR;AC1Q1Z8T;ACMC-209g83;NCIOpen2_002237;NSC105593;p-nitrobenzaldehyde ethylene acetal;SureCN699498;2-(4-Nitro-phenyl)-[1,3]dioxolane;4-(1,3-dioxolan-2-yl)nitroben-zene;EN300-217934;1,3-Dioxalane, 2-(p-nitrophenyl)-;A878051;2-(4-Nitrophenyl)-1,3-dioxolane #;SCHEMBL699498;1,3-Dioxolane, 2-(p-nitrophenyl)-;2-(4-nitrophenyl)-[1,3]dioxolane;2403-53-4;CAA40353;AB9862;FT-0736586;1,3-Dioxolane, 2-(4-nitrophenyl)-;DTXSID70295800;Benzene, 1-nitro-4-(1,3-dioxacyclopent-2-yl)-;4-nitrophenyl-1,3-dioxolane;7H-904;MFCD00550438;SY017198;AKOS001721316;CS-0145283;NSC-105593;STK701180;DA-16880;

标识符

MDL:
MFCD00550438
InChIKey:
RIXYVXYKLYQCSM-UHFFFAOYSA-N
Inchi:
1S/C9H9NO4/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2
SMILES:
O1CCOC1C1C=CC(=CC=1)[N+](=O)[O-]

2-(4-硝基苯基)-1,3-二氧戊环(2403-53-4)物化性质

实验特性

  • LogP : 2.16340
  • PSA : 64.28000
  • 折射率 : 1.568
  • 沸点 : 332.9°Cat760mmHg
  • 闪点 : 164.7°C
  • 密度 : 1.329

计算特性

  • 精确分子量 : 195.05300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 195.053
  • 重原子数量 : 14
  • 复杂度 : 201
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 拓扑分子极性表面积 : 64.3A^2

2-(4-硝基苯基)-1,3-二氧戊环(2403-53-4)海关数据

海关编码:
2932999099
海关数据:

中国海关编码:

2932999099

概述:

2932999099. 其他仅含氧杂原子的杂环化合物. 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

Summary:

2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(4-硝基苯基)-1,3-二氧戊环(2403-53-4)参考资料

Beilstein:
N183072
PubChem CID:

2-(4-硝基苯基)-1,3-二氧戊环(2403-53-4) MSDS

基础信息

    Version 1.1
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        2-(4-NITROPHENYL)-1,3-DIOXOLANE-25MG    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Irritating to respiratory system and skin.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    2-(4-NITROPHENYL)-1,3-DIOXOLANE None        None        None    
    Formula        C9H9NO4    
    Molecular Weight 195,1700 AMU
    Synonyms        RCL Substance    

    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
    ALDRICH        www.molbase.com    
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    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
    Absorb on sand or vermiculite and place in closed containers for
    disposal. Ventilate area and wash spill site after material
    pickup is complete.
    ADDITIONAL INFORMATION
    Avoid contact with eyes, skin, and clothing.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe vapor. Avoid
    contact with eyes, skin, and clothing. Avoid prolonged or
    repeated exposure.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Mechanical exhaust required. Safety shower and eye bath.
    GENERAL HYGIENE MEASURES
    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). Where risk assessment shows air-purifying respirators
    are appropriate use a full-face respirator with multi-purpose
    combination (US) or type ABEK (EN 14387) respirator cartridges as
    a backup to engineering controls. If the respirator is the sole
    means of protection, use a full-face supplied air respirator.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Liquid    
    Property        Value        At Temperature or Pressure    
    pH        N/A    
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    ALDRICH        www.molbase.com    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient Log Kow: 0,948
    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
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, carbon dioxide,
    and nitrogen oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    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: Causes skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: Causes eye irritation.
    Inhalation: Material is irritating to mucous membranes and upper
    respiratory tract. May be harmful if inhaled.
    Ingestion: May be harmful if swallowed.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    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. Observe all federal, state, and local
    environmental regulations.

    ALDRICH        www.molbase.com    
    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

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: Xi
    Irritant.
    R-PHRASES: 37/38
    Irritating to respiratory system and skin.
    S-PHRASES: 23-36/37/39
    Do not breathe vapor. Wear suitable protective clothing,
    gloves, and eye/face protection.
    Caution: Substance not yet fully tested (EU).

    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