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1671-49-4生产厂家

1671-49-4价格

1671-49-4

1671-49-4结构式
1671-49-4结构式

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中文名 2-硝基-4-甲砜基甲苯
英文名 2-Nitro-4-Methylsulfonyltoluene
中文别名 4-甲基磺酰-2-硝基甲苯
2-硝基-4-磺酰甲基甲苯
4-甲磺酰基-2-硝基甲苯
英文别名 4-Methylsulfonyl-2-nitrotoluene
4-Methanesulfonyl-2-nitrotoluene
EINECS 430-550-0
WS1&R D1 CNW
1-methyl-4-methylsulfonyl-2-nitrobenzene
MFCD00047808
Methyl 3-nitro-p-tolyl sulfone
2-Nitro-4-methylsulfonyltoluene
Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-
Methyl 4-methyl-3-nitrophenyl sulfone
1-Methyl-4-(methylsulfonyl)-2-nitrobenzene
4--Methylsulfonyl-2-nitrotoluene
密度 1.4±0.1 g/cm3
沸点 387.8±42.0 °C at 760 mmHg
熔点 120-121°C
分子式 C8H9NO4S
分子量 215.226
闪点 188.3±27.9 °C
精确质量 215.025223
PSA 88.34000
LogP 0.96
外观性状 白色至类白色粉末或晶体
蒸汽压 0.0±0.9 mmHg at 25°C
折射率 1.551
储存条件

保持容器密封,储存在阴凉,干燥的地方

稳定性

常温常压下稳定,避免氧化物接触

分子结构

1、 摩尔折射率:50.85

2、 摩尔体积(m3/mol):159.3

3、 等张比容(90.2K):418.6

4、 表面张力(dyne/cm):47.6

5、 介电常数(F/m):无可用

6、 极化率(10 -24cm 3):20.15

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:4

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88.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:313

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

更多

1. 性状:白色粉末。

2. 密度(g/mL,25/4℃): 未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):120-121

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 未确定

8. 闪点(ºC): 未确定

9. 比旋光度(º): 未确定

10. 自燃点或引燃温度(ºC): 未确定

11. 蒸气压(kPa,25ºC): 未确定

12. 饱和蒸气压(kPa,60ºC): 未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC): 未确定

15. 临界压力(KPa): 未确定

16. 油水(辛醇/水)分配系数的对数值: 未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V): 未确定

19. 溶解性:未确定

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 4-Methylsulfonyl-2-nitrotoluene
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H361:Suspected of damaging fertility or the unborn child
H302:Harmful if swallowed
H317:May cause an allergic skin reaction
H402:Harmful to aquatic life
H412:Harmful to aquatic life with long lasting effects
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P273:Avoid release to the environment

Section3. Composition/information on ingredients.
Ingredient name:4-Methylsulfonyl-2-nitrotoluene
CAS number:1671-49-4

Section4. 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.

Section5. 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.

Section6. 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.

Section7. 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.

Section8. 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.

Section9. Physical and chemical properties
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C8H9NO4S
Molecular weight: 215.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. 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.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. 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

毒理学数据:

对眼睛、皮肤、粘膜有刺激作用

生态学数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

危害码 (欧洲) Xi
风险声明 (欧洲) R23/24/25
安全声明 (欧洲) S26-S36/37/39
危险品运输编码 2811
海关编码 2904909090

~%

1671-49-4结构式

1671-49-4

文献:Journal of Organic Chemistry, , vol. 18, p. 1380,1400 Journal of the American Chemical Society, , vol. 81, p. 342,347

~47%

1671-49-4结构式

1671-49-4

文献:Olah; Orlinkov; Oxyzoglou; Prakash, G.K. Suria Russian Journal of Organic Chemistry, 1998 , vol. 34, # 11 p. 1573 - 1578
海关编码 2904909090
中文概述 2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素 品名, 成分含量, 用途
Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%