3994-50-1 (1-甲基-4-硝基吡唑,1-Methyl-4-nitro-1H-pyrazole)

CAS号:
3994-50-1
中文名称:
1-甲基-4-硝基吡唑
英文名称:
1-Methyl-4-nitro-1H-pyrazole
分子式:
C4H5N3O2
分子量:
127.101400136948
相关分类:

1-甲基-4-硝基吡唑(3994-50-1)名称与标识符

名称

中文别名:
1-甲基-4-硝基吡唑;1-甲基-4-硝基-1H-吡唑;N-甲基-5-硝基吡唑;
英文别名:
1-Methyl-4-nitro-1H-pyrazole;1-METHYL-4-NITROPYRAZOLE;1-Methyl-2-hydroxymethyl-pyrrolidin;1-methyl-3-hydroxymethylpyrrolidine;1-Methyl-4-nitropyrazol;3-Pyrrolidinemethanol,1-methyl;4-nitro-1-methylpyrazole;methyl-1 methanol-3 pyrrolidine;methyl-1 nitro-4 pyrazole;1H-Pyrazole, 1-methyl-4-nitro-;PYRAZOLE, 1-METHYL-4-NITRO-;CZVJIVYLYOVBRP-UHFFFAOYSA-N;1-Methyl-4-nitro-1H-pyrazole, AldrichCPR;1-methyl-4-nitro-pyrazole;1-Methyl-4-nitro-1H-pyrazole #;BCP29818;SBB019276;BBL013865;STK298892;SY005889;DS-2159;ALBB-009786;F8889-8426;PB48904;CS-W002627;MFCD00464261;SCHEMBL742906;1-Methyl-4-nitro-1H-pyrazole, radical ion(1-);EN300-77101;AC-31215;DB-014227;1H-Pyrazole, 1-methyl-4-nitro-, radical ion(1-);82208-47-7;Z821315474;AKOS015922537;3994-50-1;AKOS000309399;DTXSID60192990;

标识符

MDL:
MFCD00464261
InChIKey:
CZVJIVYLYOVBRP-UHFFFAOYSA-N
Inchi:
1S/C4H5N3O2/c1-6-3-4(2-5-6)7(8)9/h2-3H,1H3
SMILES:
[O-][N+](C1C=NN(C)C=1)=O

1-甲基-4-硝基吡唑(3994-50-1)物化性质

实验特性

  • LogP : 0.85150
  • PSA : 63.64000
  • 沸点 : 244 ºC
  • 闪点 : 102 ºC
  • 密度 : 1.44

计算特性

  • 精确分子量 : 127.03800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 127.038176411 g/mol
  • 重原子数量 : 9
  • 复杂度 : 122
  • 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) : 0.1
  • 拓扑分子极性表面积 : 63.6
  • 分子量 : 127.10

1-甲基-4-硝基吡唑(3994-50-1)安全信息

1-甲基-4-硝基吡唑(3994-50-1)海关数据

海关编码:
2933199090
海关数据:

中国海关编码:

2933199090

概述:

2933199090. 其他结构上有非稠合吡唑环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-甲基-4-硝基吡唑(3994-50-1)推荐厂家 更多厂家(32)

公司名称 手机号/电话 联系人 QQ 微信 询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
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上海创赛科技有限公司 15021221957
021-59553580
凌度 2852351983
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上海绩祥生物科技有限公司 13093077543 陆经理 3985448220
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
询单

1-甲基-4-硝基吡唑(3994-50-1)合成路线

合成路线:1 步
反应条件:
参考文献:
Nitration of 4-halo-1-methylpyrazoles in sulfuric acid
Perevalov, V. P.; Manaev, Yu. A.; Baryshnenkova, L. I.; Kanep, E. E.; Andreeva, M. A.; et al, Khimiya Geterotsiklicheskikh Soedinenii, 1987, (10), 1350-2
合成路线:1 步
反应条件:
参考文献:
Effect of "anomalous" electrochemical halogenation of pyrazoles and its reasons
Lyalin, B. V.; Petrosyan, V. A., Russian Chemical Bulletin, 2012, 61(1), 209-210

1-甲基-4-硝基吡唑(3994-50-1)相关文献

1-甲基-4-硝基吡唑(3994-50-1) MSDS

基础信息


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 1-Methyl-4-Nitro-1H-Pyrazole    
    : MNO000037
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Acute toxicity, Oral (Category 4), H302
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Xn Harmful        R22    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    Harmful if swallowed.
    Precautionary statement(s)        none    
    Supplemental Hazard        none    
    Statements
  Other hazards
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
  Substances
    Molecular weight        : 127,1 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  1-Methyl-4-Nitro-1H-Pyrazole
    Acute Tox. 4; H302        <= 100="">
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  1-Methyl-4-Nitro-1H-Pyrazole
    Xn, R22        <= 100="">
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of 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. Consult a physician.
  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. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    No data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Nature of decomposition products not known.
  Advice for firefighters
    Wear self-contained breathing apparatus for firefighting if necessary.
  Further information
    No data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
    adequate ventilation. Avoid breathing dust.
    For personal protection see section 8.
  Environmental precautions
    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.
  Reference to other sections
    For disposal see section 13.

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.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Storage class (TRGS 510): Non Combustible Solids
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
    and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin 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.
  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.
  Respiratory protection
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    Use respirators and components tested and approved under appropriate government standards
    such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        No data available    
    c) Odour Threshold        No data available    
    d) pH        No data available    
    e) Melting point/freezing        No data available    
    point
    f) Initial boiling point and No data available
    boiling range
    g) Flash point        No data available    
    h) Evaporation rate        No data available    
    i) Flammability (solid, gas) No data available
    j) Upper/lower        No data available    
    flammability or
    explosive limits
    k) Vapour pressure        No data available    
    l) Vapour density        No data available    
    m) Relative density        No data available    
    n) Water solubility        No data available    
    o) Partition coefficient: n- No data available
    octanol/water
    p) Auto-ignition        No data available    
    temperature
    q) Decomposition        No data available    
    temperature
    r) Viscosity        No data available    
    s) Explosive properties        No data available    
    t) Oxidizing properties        No data available    
  Other safety information
    No data available

SECTION 10: Stability and reactivity
  Reactivity
    No data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    No data available
  Conditions to avoid
    No data available
  Incompatible materials
    No data available
  Hazardous decomposition products
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    No data available
  Skin corrosion/irritation
    No data available
  Serious eye damage/eye irritation
    No data available
  Respiratory or skin sensitisation
    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
  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
  Results of PBT and vPvB assessment
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
  Other adverse effects
    No data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. 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
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    No data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    No data available
  Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A