N-甲基-2-硝基苯胺

N-甲基-2-硝基苯胺 基本信息
CAS号 612-28-2 分子式 C7H8N2O2
分子量 152.15100 精确质量 　152.05900
PSA 　57.85000 LogP 　2.23270
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
612-28-2
3D弹球模型：
立即前往扯扯看
分子式：
C7H8N2O2
分子量：
152.15100
中文名称：
N-甲基-2-硝基苯胺
英文名称：
N-METHYL-2-NITROANILINE
中文别名：
N-甲基-2-硝基苯胺;
鄰硝基甲胺苯;
N-甲邻硝苯胺
英文别名：
N-METHYL-2-NITROANILINE;
o-nitro-N-methylaminobenzene;
o-nitro-N-methylaniline;
Aniline,N-methyl-o-nitro;
Benzenamine,N-methyl-2-nitro;
N-Methyl 2-nitroaniline;
o-(Methylamino)nitrobenzene;
N-Methyl-2-nitrobenzenamine;
2-methylamino-nitrobenzene;
2-Nitro-N-methylaniline;
N-Methyl-o-nitroaniline
精确分子量/精确质量：
152.05900
极性分子表面积/PSA：
57.85000
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：
MFCD00007090
EINECS：
210-303-1
PubChem：
24851627
InChI：
InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3

物化性质展开↓

外观与性状：
红色粉末
密度：
1.26g/cm3
熔点：
35-38 °C(lit.)
沸点：
277.9ºC at 760 mmHg
闪点：
>230 °F
折射率：
1.619
存储条件/存储方法：

贮存：

将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

稳定性相关：

性质与稳定性：

常温常压下，或不分解产物。

 

安全信息展开↓

包装等级：
II
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：
R23/24/25;R33
安全说明：
S36/37-S45
RTECS号：
BY5710000
安全标志：
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：
T:Toxic;

合成路线查看所有的合成路线

  • 88-74-4

    2-硝基苯胺

  • +

  • 77-78-1

    硫酸二甲酯

  • →

    ~99%

  • 612-28-2

    N-甲基-2-硝基苯胺

  • 577-19-5

    1-溴-2-硝基苯

  • +

  • 74-89-5

    甲胺

  • →

    ~99%

  • 612-28-2

    N-甲基-2-硝基苯胺

  • 88-73-3

    邻氯硝基苯

  • +

  • 74-89-5

    甲胺

  • →

    ~98%

  • 612-28-2

    N-甲基-2-硝基苯胺

化学图谱

  1. N-甲基-2-硝基苯胺核磁图(1HNMR)

  2. N-甲基-2-硝基苯胺核磁图(13CNMR)

  3. N-甲基-2-硝基苯胺质谱(MS)

  4. N-甲基-2-硝基苯胺红外图谱(IR1)

  5. N-甲基-2-硝基苯胺红外图谱(IR2)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BY5710000
CHEMICAL NAME :
Aniline, N-methyl-o-nitro-
CAS REGISTRY NUMBER :
612-28-2
BEILSTEIN REFERENCE NO. :
2209110
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H8-N2-O2
MOLECULAR WEIGHT :
152.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
2500 ug/plate
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 23,695,1985
生态数据：

三、生态学数据：

1、其它有害作用：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:      N-Methyl 2-nitroaniline    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H301:        Toxic if swallowed    
    H311:        Toxic in contact with skin    
    H331:        Toxic if inhaled    
    H373:        May cause damage to organs through prolonged or repeated exposure    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P301+P310:        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician    
    P311:        Call a POISON CENTER or doctor/physician    
Section 3. Composition/information on ingredients.
    Ingredient name:        N-Methyl 2-nitroaniline    
    CAS number:        612-28-2    
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.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    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
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C7H8N2O2    
    Molecular weight:        152.2    
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
    UN Number:        UN2811 Class: 6.1 Packing group: II    
    Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (N-Methyl 2-nitroaniline)
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

五、分子性质数据：

1、   摩尔折射率：42.40

2、   摩尔体积（m3/mol）：120.7

3、   等张比容（90.2K）：321.6

4、   表面张力（dyne/cm）：50.3

5、 极化率（10-24cm3）：16.81

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:3

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57.8

7.重原子数量:11

8.表面电荷:0

9.复杂度:144

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

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