4-氯-3-硝基苯甲酸乙酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

4-氯-3-硝基苯甲酸乙酯 基本信息

中文名称:
4-氯-3-硝基苯甲酸乙酯 
中文别名:
4-氯-3-硝基苯甲酸乙酯;
2-Nitro-3,4,5,6-Tetrafluorobenzoic acid;
2-Nitro-Tetrafluorobenzoic acid;
3,4,5,6-Tetrafluoro-2-NitroBenzoic Acid;
2,3,4,5-tetrafluoro-6-nitrobenzoate;
2,3,4,5-Tetrafluoro-6-NitroBenzoic Acid;
2-[(E)-[(5S)-3-bromo-5-hydroxy-4,6-dioxocyclohex-2-en-1-ylidene](5-bromo-2,3,4-trihydroxyphenyl)methyl]benzenesulfonate;
Bromopyrogallol Red;
Noreleagnine;
3-n-Butoxypropylamine, 98+%;
3-aminopropyl butyl ether;
3-butoxy-1-propanamin;
3-Butoxy Propylamine; 
英文名称:
Benzoic acid,4-chloro-3-nitro-, ethyl ester
英文别名:
Ethyl 4-chloro-3-nitrobenzoate;
ETHYL 4-CHLORO-3-NITROBENZOATE 
CAS No.:
16588-16-2
分 子 式:
C9H8ClNO4
分 子 量:
229.62
精确分子量:
229.01400
PSA:
72.12000
MDL:
MFCD00219621
InChI:
InChI=1/C9H8ClNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
危险品标志:

IrritantXi
风险术语:
R36/37/38;
安全术语:
S26;S37/39;
分子结构式:
SDS:
查看

4-氯-3-硝基苯甲酸乙酯 物化性质

外观与性状:
淡黄色结晶粉末
密度:
1.369g/cm3
熔点:
57-61 °C
沸点:
326.2ºC at 760mmHg
闪点:
151.1ºC
折射率:
1.558
蒸汽压:
0.000219mmHg at 25°C
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:氧化物

其它信息:

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

4-氯-3-硝基苯甲酸乙酯 安全信息

海关代码:
2916399090
危险类别码:
R36/37/38
安全说明:
S37/39-S26
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。
:
危险标志:
Xi:Irritant;

4-氯-3-硝基苯甲酸乙酯 毒理性

生态数据:

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。

4-氯-3-硝基苯甲酸乙酯 MSDS

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

4-氯-3-硝基苯甲酸乙酯 海关数据

中国海关编码:2916399090

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
摘要/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%

4-氯-3-硝基苯甲酸乙酯 分子结构与计算化学数据

分子结构数据

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

计算化学数据

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

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