吡啶-2-甲基甲烷磺酸肟

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

吡啶-2-甲基甲烷磺酸肟 基本信息

中文名称:
吡啶-2-甲基甲烷磺酸肟 
中文别名:
2-吡啶肟甲磺酸甲酯;
吡啶-2-醛肟甲基甲磺酸酯 
英文名称:
2-PYRIDINEALDOXIME METHYL METHANESULFONATE
英文别名:
pralidoxime mesylate;
2-pammethanesulfonate;
2-PYRIDINEALDOXIME METHYL METHANESULFONATE;
2-(hydroxyimino-methyl)-1-methyl-pyridinium,methanesulfonate;
pralidoxime methanesulphonate;
pralidoximemesylate;
Pralidoxime methylsulfate;
pralidoximemethosulfate;
contrathion;
2-(Hydroxyimino-methyl)-1-methyl-pyridinium,Methansulfonat;
Pralidoxime;
pralidoxime mesilate;
protopammethanesulfonate;
pyridine-2-aldoxime methyl methanesulfonate;
p2s;
Einecs 205-839-8 
CAS No.:
154-97-2
分 子 式:
C8H12N2O4S
分 子 量:
232.26
精确分子量:
232.05200
PSA:
102.05000
EINECS:
205-839-8
InChI:
The Key: WWZYJJGFUIAWNW-UHFFFAOYSA-N
分子结构式:
SDS:
查看

吡啶-2-甲基甲烷磺酸肟 制备方法及用途

合成制备方法

 

吡啶-2-甲基甲烷磺酸肟 物化性质

沸点:
189.7ºC at 760mmHg
闪点:
68.5ºC
存储条件/存储方法:

2-8℃。

吡啶-2-甲基甲烷磺酸肟 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UU4570000
CHEMICAL NAME :
Pyridinium, 2-formyl-1-methyl-, methanesulfonate oxime
CAS REGISTRY NUMBER :
154-97-2
LAST UPDATED :
199512
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C7-H9-N2-O.C-H3-O3-S
MOLECULAR WEIGHT :
232.28
WISWESSER LINE NOTATION :
T6KJ A1 B1UNQ &Q &OSW1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
52500 mg/kg/4W-I
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
AEHLAU Archives of Environmental Health. (Heldref Pub., 4000 Albemarle St., NW, Washington, DC 20016) V.1- 1960- Volume(issue)/page/year: 15,599,1967
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Vascular - BP elevation not characterized in autonomic section
REFERENCE :
AEHLAU Archives of Environmental Health. (Heldref Pub., 4000 Albemarle St., NW, Washington, DC 20016) V.1- 1960- Volume(issue)/page/year: 15,599,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CJBPAZ Canadian Journal of Biochemistry and Physiology. (Ottawa, Ont., Canada) V.32-41, 1954-63. For publisher information, see CJBIAE. Volume(issue)/page/year: 39,351,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
262 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 13,202,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
332 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 13,202,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
109 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 13,202,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CJBPAZ Canadian Journal of Biochemistry and Physiology. (Ottawa, Ont., Canada) V.32-41, 1954-63. For publisher information, see CJBIAE. Volume(issue)/page/year: 39,351,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
132 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 7,232,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
165 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 13,202,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
118 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 132,50,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
356 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 13,202,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
118 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 33,559,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
258 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 33,559,1975 *** REVIEWS *** TOXICOLOGY REVIEW JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 53,1143,1964

吡啶-2-甲基甲烷磺酸肟 MSDS

    Date Updated: 11/FEB/2006
    Version 1.2
    Regulation (EC) No 1907/2006
    ________________________________________________________________________
    1 - Product and Company Information
    ________________________________________________________________________
    Product Name        PYRIDINE-2-ALDOXIME METHYL    
    METHANESULFONATE
    Product Number        P0268    
    Company
    Century Ba-Shi Building 22A-B,
    200020 Shanghai
    Technical Phone #        86-21-61415566    
    Fax 86-21-61415567
    E-mail Address
    ________________________________________________________________________
    2 - Hazards Identification
    ________________________________________________________________________
    ________________________________________________________________________
    3 - Composition/Information on Ingredients
    ________________________________________________________________________
    Product Name        CAS #        EC no        Annex I    
    Index Number
    2-PYRIDINEALDOXIME METHYL        154-97-2 205-839-8 None    
    METHANE-SULFONATE, 95%
    Formula        C7H9N2O.CH3O3S    
    Molecular Weight 232,2600 AMU
    Synonyms        Contrathion * 2-Formyl-N-methylpyridinium oxime    
    methanesulfonat * 2-Formyl-1-methylpyridinium
    methanesulfonate oxim *
    2-Hydroxyiminomethyl-N-methylpyridinium
    methanesulphonate *
    N-Methylpyridinium-2-aldoxime methanesulphonate
    * 1-Methylpyridinium-2-aldoxime methanesulfonate
    * N-Methylpyridinium methane sulfonate
    2-aldoxime * 2-Pam methanesulfonate *
    Pralidoxime mesylate * Pralidoxime
    methanesulfonate * Pralidoxime methosulfate *
    Protopam methanesulfonate * P2S * Pyridinium,
    2-aldoxime, N-methyl methanesulphonat *
    Pyridinium, 2-((hydroxyimino)methyl)-1-methyl-,
    methanesulfonate (salt) (9CI)
    ________________________________________________________________________
    4 - First Aid Measures
    ________________________________________________________________________
    AFTER INHALATION
    If inhaled, remove to fresh air. If breathing becomes difficult,
    call a physician.
    AFTER SKIN CONTACT
    In case of skin contact, flush with copious amounts of water for
    at least 15 minutes. Remove contaminated clothing and shoes.
    Call a physician.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    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
    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 protective equipment.
    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
    ________________________________________________________________________
    STORAGE
    Store at 2-8°C
    ________________________________________________________________________
    8 - Exposure Controls / Personal Protection
    ________________________________________________________________________
    ENGINEERING CONTROLS
    Mechanical exhaust required.
    PERSONAL PROTECTIVE EQUIPMENT
    Special Protective Measures: Wear appropriate government approved
    respirator, chemical-resistant gloves, safety goggles, other
    protective clothing.
    ________________________________________________________________________
    9 - Physical and Chemical Properties
    ________________________________________________________________________
    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        154,000. - 156,000 °    
    C.
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    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
    Stable: Stable.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides, Sulfur oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur
    ________________________________________________________________________
    11 - Toxicological Information
    ________________________________________________________________________
    RTECS NUMBER: UU4570000
    ACUTE TOXICITY
    LD50
    Oral
    Rat
    7000,000000 mg/kg
    LD50
    Intraperitoneal
    Rat
    262 MG/KG
    Remarks: Lungs, Thorax, or Respiration:Dyspnea.
    Behavioral:Convulsions or effect on seizure threshold.
    Behavioral:Tremor.
    LD50
    Subcutaneous
    Rat
    332 MG/KG
    Remarks: Lungs, Thorax, or Respiration:Dyspnea.
    Behavioral:Convulsions or effect on seizure threshold.
    Behavioral:Tremor.
    LD50
    Intravenous
    Rat
    109 MG/KG
    Remarks: Lungs, Thorax, or Respiration:Dyspnea.
    Behavioral:Convulsions or effect on seizure threshold.
    Behavioral:Tremor.
    LD50
    Oral
    Mouse
    3700,000000 mg/kg
    LD50
    Intraperitoneal
    Mouse
    132 MG/KG
    LD50
    Subcutaneous
    Mouse
    165 MG/KG
    Remarks: Lungs, Thorax, or Respiration:Dyspnea.
    Behavioral:Convulsions or effect on seizure threshold.
    Behavioral:Tremor.
    LD50
    Intravenous
    Mouse
    118 MG/KG
    LD50
    Intramuscular
    Monkey
    356 MG/KG
    Remarks: Behavioral:Tremor. Behavioral:Convulsions or effect on
    seizure threshold. Lungs, Thorax, or Respiration:Dyspnea.
    LD50
    Intravenous
    Rabbit
    118 MG/KG
    Remarks: Behavioral:Convulsions or effect on seizure threshold.
    Behavioral:Muscle weakness. Lungs, Thorax, or
    Respiration:Cyanosis.
    LD50
    Intramuscular
    Rabbit
    258 MG/KG
    Remarks: Behavioral:Convulsions or effect on seizure threshold.
    Behavioral:Muscle weakness. Lungs, Thorax, or
    Respiration:Cyanosis.
    ROUTE OF EXPOSURE
    Multiple Routes: May cause irritation. May be harmful by
    inhalation, ingestion, or skin absorption.
    CONDITIONS AGGRAVATED BY EXPOSURE
    The toxicological properties have not been thoroughly
    investigated.
    ________________________________________________________________________
    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
    ________________________________________________________________________
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 2
    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
    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.
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.


模块 15 - 法规信息
N/A


模块16 - 其他信息
N/A

吡啶-2-甲基甲烷磺酸肟 分子结构与计算化学数据

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:1

3.氢键受体数量:5

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积99.9

7.重原子数量:15

8.表面电荷:0

9.复杂度:295

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:1

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

吡啶-2-甲基甲烷磺酸肟 上游产品

吡啶-2-甲基甲烷磺酸肟 下游产品

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