2-羟基-3,5-二硝基吡啶

2-羟基-3,5-二硝基吡啶 基本信息
CAS号 2980-33-8 分子式 C5H3N3O5
分子量 185.09400 精确质量 　185.00700
PSA 　124.50000 LogP 　1.23770
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
2980-33-8
3D弹球模型：
立即前往扯扯看
分子式：
C5H3N3O5
分子量：
185.09400
中文名称：
2-羟基-3,5-二硝基吡啶
英文名称：
3,5-dinitropyridin-2-ol
中文别名：
2-羟基-3,5-二硝基吡啶;
beta-Methoxyphenethyl alcohol;
2-Methoxy-2-phenylethan-1-ol;
2-methoxy-2-phenylethanol;
1,1-Dimethyl-2-propynyl-1-amine;
1,1-dimethylpropargylamine;
3-amino-3-methyl-1-Butyne;
2-Chloromethyl-4-nitrophenol;
Methyl 4-(trifluoromethyl)benzoat;
Methyl-4-(trifluoromethyl)benzoate;
Methyl 4-trifluoromethylbenzoate;
4-(Trifluoromethyl)-Benzoic Acid Methyl Ester;
Methyl 4-(trifluoromethyl)benzoate;
Ethyl trans-4-oxo-2-butenoate;
NSC 202840;
S-(2-Aminoethyl) hydrogen thiosulfate;
S-beta-Aminoethylthiosulfuric acid;
USAF EK-8413;
WR 361;
Ethanethiol, 2-amino-, hydrogen sulfate (ester);
S-(2-Aminoethyl) hydrogen thiosulphate;
Thiosulfuric acid (H2S2O3), S-(2-aminoethyl) ester;
Thiosulfuric acid, S-(2-aminoethyl) ester (8CI);
S-(2-aminoethyl) hydrogen sulfurothioate;
sodium S-(2-aminoethyl) sulfurothioate;
2-(sulfosulfanyl)ethanaminium;
2-Aminoethanethiolsulfuric acid;
N-{4-[(2Z)-2-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl}acetamide;
N-{4-[(2E)-2-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl}acetami
英文别名：
3,5-dinitropyridin-2-ol;
2-Hydroxy-3,5-Dinitropyridine;
AURORA KA-2998;
3,5-dinitro-2-hydroxypyridine;
2-HYDROXY-3,5-DINITROPYRIDINE;
3,5-dinitro-2-pyridone;
3,5-Dinitropyridine-2-ol;
3,5-Dinitropyridin-2-ol;
3,5-dinitro-1H-pyridin-2-one;
3,5-Dinitro-2-pyridinol;
2-Hydroxy-3,5-dinitro-pyridin
精确分子量/精确质量：
185.00700
极性分子表面积/PSA：
124.50000
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。
贝尔斯坦号/MDL：
MFCD00039716
PubChem：
24879239
BRN：
196025
InChI：
InChI=1/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11)

物化性质展开↓

密度：
1.69g/cm3
熔点：
175-179 °C(lit.)
沸点：
321ºC at 760mmHg
闪点：
147.9ºC
折射率：
1.634
蒸汽压：
2.82E-06mmHg at 25°C
存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无可用

2.       密度（g/mL,25/4℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：175-179

5.       沸点（ºC,常压）：无可用

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：无可用

8.       闪点（ºC）：无可用

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：无可用

安全信息展开↓

包装等级：
III
风险类别：
6.1
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R20/21/22;R36/37/38
安全说明：
S26-S36
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 13472-80-5

    3,5-diiodo-1H-pyridin-2-one

  • →

    ~76%

  • 2980-33-8

    2-羟基-3,5-二硝基吡啶

  • 25864-34-0

    2-氨基-3,5-二硝基-6-甲基砒啶

  • →

    ~17%

  • 2980-33-8

    2-羟基-3,5-二硝基吡啶

  • 6635-31-0

    5-硝基-6-羟基烟酸

  • +

  • 7697-37-2

    硝酸

  • →

  • 2980-33-8

    2-羟基-3,5-二硝基吡啶

毒理性展开↓

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      3,5-Dinitropyridin-2-ol    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
Section 3. Composition/information on ingredients.
    Ingredient name:        3,5-Dinitropyridin-2-ol    
    CAS number:        2980-33-8    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    Eye contact:
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.    
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not specified    
    No data
    Boiling point:
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C5H3N3O5
    Molecular weight: 185.1
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    Non-harzardous for air and ground transportation.
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：39.31

2、   摩尔体积（m3/mol）：104.7

3、   等张比容（90.2K）：327.4

4、   表面张力（dyne/cm）：95.3

5、   极化率（10-24cm3）：15.58

计算化学数据

1.疏水参数计算参考值（XlogP）:-0.2

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:0

5.互变异构体数量:2

6.拓扑分子极性表面积121

7.重原子数量:13

8.表面电荷:0

9.复杂度:344

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

上下游相关产品

上游产品

更多

  • 25864-34-0

    2-氨基-3,5-二硝基-6-甲基砒啶

  • 13472-80-5

    3,5-diiodo-1H-pyridin-2-one

  • 5418-51-9

    2-羟基-5-硝基吡啶

  • 6332-56-5

    2-羟基-3-硝基吡啶

  • 1824-81-3

    2-氨基-6-甲基吡啶

下游产品

更多

  • 5667-38-9

    3-氨基-5-硝基-2-吡啶酮

  • 4318-78-9

    3,5-二氨基吡啶

  • 940-06-7

    3,5-二硝基吡啶

  • 2075-46-9

    4-硝基吡唑

  • 497-18-7

    碳酰肼

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP