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16588-16-2生产厂家

16588-16-2价格

16588-16-2

16588-16-2结构式
16588-16-2结构式

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中文名 4-氯-3-硝基苯甲酸乙酯
英文名 Ethyl 4-chloro-3-nitrobenzoate
英文别名 MFCD00219621
ethyl 4-chloro-3-nitrobenzoate
密度 1.369g/cm3
沸点 326.2ºC at 760mmHg
熔点 57-61 °C
分子式 C9H8ClNO4
分子量 229.61700
闪点 151.1ºC
精确质量 229.01400
PSA 72.12000
LogP 2.94810
外观性状 淡黄色结晶粉末
蒸汽压 0.000219mmHg at 25°C
折射率 1.558
储存条件

常温密闭避光,通风干燥

稳定性

常温常压下稳定

避免的物料:氧化物

分子结构

1、 摩尔折射率:54.09

2、 摩尔体积(m3/mol):167.6

3、 等张比容(90.2K):443.2

4、 表面张力(dyne/cm):48.8

5、 极化率(10-24cm3):21.44

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:3

5.互变异构体数量:无

6.拓扑分子极性表面积72.1

7.重原子数量:15

8.表面电荷:0

9.复杂度:253

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:未确定

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): 57-61 °C 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

Name: Ethyl 4-chloro-3-nitrobenzoate Material Safety Data Sheet
Synonym:
CAS: 16588-16-2
Section 1 - Chemical Product MSDS Name:Ethyl 4-chloro-3-nitrobenzoate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16588-16-2 Ethyl 4-chloro-3-nitrobenzoate unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 16588-16-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 53 - 55 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C9H8ClNO4
Molecular Weight: 229.62

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, bases.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide, nitric acid.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16588-16-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-chloro-3-nitrobenzoate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 16588-16-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16588-16-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16588-16-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

危害码 (欧洲) Xi:Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S37/39-S26
海关编码 2916399090

~99%

16588-16-2结构式

16588-16-2

文献:Japan Tobacco Inc. Patent: US2003/50320 A1, 2003 ; US 20030050320 A1

~98%

16588-16-2结构式

16588-16-2

文献:Dainippon Sumitomo Pharma Co., Ltd. Patent: EP1726587 A1, 2006 ; Location in patent: Page/Page column 47 ;

~99%

16588-16-2结构式

16588-16-2

文献:Aguirre, Gabriela; Boiani, Mariana; Cerecetto, Hugo; Gerpe, Alejandra; Gonzalez, Mercedes; Sainz, Yolanda Fernandez; Denicola, Ana; De Ocariz, Carmen Ochoa; Nogal, Juan Jose; Montero, David; Escario, Jose Antonio Archiv der Pharmazie, 2004 , vol. 337, # 5 p. 259 - 270

~98%

16588-16-2结构式

16588-16-2

文献:Stefane, Bogdan; Kocevar, Marijan; Polanc, Slovenko Synthetic Communications, 2002 , vol. 32, # 11 p. 1703 - 1707

~%

16588-16-2结构式

16588-16-2

文献:Justus Liebigs Annalen der Chemie, , vol. 222, p. 183
海关编码 2916399090
中文概述 2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素 品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%