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16588-17-3 (2-氯-5-硝基苯甲酸乙酯,Ethyl2-chloro-5-nitrobenzoate)

CAS号:
16588-17-3
中文名称:
2-氯-5-硝基苯甲酸乙酯
英文名称:
Ethyl2-chloro-5-nitrobenzoate
分子式:
C9H8ClNO4
分子量:
229.617121696472

2-氯-5-硝基苯甲酸乙酯(16588-17-3)名称与标识符

名称

中文别名:
2-氯-5-硝基苯甲酸乙酯;
英文别名:
Ethyl 2-chloro-5-nitrobenzoate;2-Chlor-5-nitro-benzoesaeure-aethylester;2-Chlor-5-nitroethylbenzoat;2-chloro-5-nitro-benzoic acid ethyl ester;ethyl ester of 2-chloro-5-nitrobenzoic acid;2-Chloro-5-nitrobenzoicacid ethyl ester;RARECHEM AL BI 0191;2-Chloro-5-nitrobenzoicacidethylester;BENZOIC ACID, 2-CHLORO-5-NITRO-, ETHYL ESTER;MFCD00115803;DTXSID70378945;JXOMCDVAPASMML-UHFFFAOYSA-N;CS-0138964;SCHEMBL4420346;EN300-7394592;Z53833857;A810678;CHEMBL185627;FT-0625949;J-520730;BDBM50154610;ethyl 2-chloro-5-nitro-benzoate;2-chloro-5-nitrobenzoic acid ethyl ester;AKOS003235911;16588-17-3;AS-9184;Ethyl2-chloro-5-nitrobenzoate;STK401658;DB-015655;

标识符

MDL:
MFCD00115803
InChIKey:
JXOMCDVAPASMML-UHFFFAOYSA-N
Inchi:
1S/C9H8ClNO4/c1-2-15-9(12)7-5-6(11(13)14)3-4-8(7)10/h3-5H,2H2,1H3
SMILES:
ClC1=CC=C(C=C1C(=O)OCC)[N+](=O)[O-]

2-氯-5-硝基苯甲酸乙酯(16588-17-3)物化性质

实验特性

  • LogP : 2.94810
  • PSA : 72.12000
  • 折射率 : 1.558
  • 沸点 : 329.5 °C at 760 mmHg
  • 闪点 : 153.1 °C
  • 颜色与性状 : 淡黄色晶体粉末
  • 密度 : 1.369

计算特性

  • 精确分子量 : 229.01400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 4
  • 同位素质量 : 229.014
  • 重原子数量 : 15
  • 复杂度 : 253
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.7
  • 拓扑分子极性表面积 : 72.1A^2

2-氯-5-硝基苯甲酸乙酯(16588-17-3)安全信息

2-氯-5-硝基苯甲酸乙酯(16588-17-3)海关数据

海关编码:
2916399090
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

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%

2-氯-5-硝基苯甲酸乙酯(16588-17-3)推荐厂家

上海瀚思化工有限公司
联系人:顾经理
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深圳市星凯越生物科技有限公司
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2-氯-5-硝基苯甲酸乙酯(16588-17-3)上下游

2-氯-5-硝基苯甲酸乙酯(16588-17-3)相关文献

  • 1. CXIV.—The influence of nitro-groups on the reactivity of substituents in the benzene nucleus. Part IV. The condensation of ethyl 3- and 5-nitro-2-chlorobenzoates with hydrazines
    James Kenner,Ernest Witham J. Chem. Soc. Trans. 1921 119 1053
  • 2. CLII.—Piperidine as a general reagent for the determination of the constitution of halogenonitro-compounds. The nitration of 4 : 4′-dihalogenodiphenylmethane and -s-diphenylethane
    Raymond James Wood Le Fèvre,Eustace Ebenezer Turner J. Chem. Soc. 1927 1113

2-氯-5-硝基苯甲酸乙酯(16588-17-3) MSDS

基础信息

Name:Ethyl 2-chloro-5-nitrobenzoate 90+% Material Safety Data Sheet
Synonym:
CAS:16588-17-3
Section 1 - Chemical Product ? MSDS Name:Ethyl 2-chloro-5-nitrobenzoate 90+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
16588-17-3Ethyl 2-chloro-5-nitrobenzoate90+%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.

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# 16588-17-3: 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: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H8ClNO4
Molecular Weight: 229.62

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 16588-17-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 2-chloro-5-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# 16588-17-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16588-17-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16588-17-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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