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2-氯-5-硝基苯甲酸乙酯 | 16588-17-3

2-氯-5-硝基苯甲酸乙酯结构式图片|16588-17-3结构式图片
2-氯-5-硝基苯甲酸乙酯
Ethyl2-chloro-5-nitrobenzoate
16588-17-3
C9H8NO4Cl
229.61712
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-氯-5-硝基苯甲酸乙酯结构式
2-氯-5-硝基苯甲酸乙酯MOL
2774222
名称和标识符
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 CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
别名信息
- 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
  • Benzoic acid, 2-chloro-5-nitro-, ethyl ester
  • DTXSID70378945
  • JXOMCDVAPASMML-UHFFFAOYSA-N
  • CS-0138964
  • 2-Chloro-5-nitro-benzoic acid ethyl ester
  • SCHEMBL4420346
  • EN300-7394592
  • Z53833857
  • A810678
  • CHEMBL185627
  • FT-0625949
  • J-520730
  • ethyl 2-chloro-5-nitrobenzoate
  • BDBM50154610
  • ethyl 2-chloro-5-nitro-benzoate
  • 2-chloro-5-nitrobenzoic acid ethyl ester
  • AKOS003235911
  • 16588-17-3
  • AS-9184
  • Ethyl2-chloro-5-nitrobenzoate
  • ETHYL 2-CHLORO-5-NITROBENZOATE
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
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%

相关文献
  • 1. 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. 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
专业数据库参考
PubChemId 2774222
2-氯-5-硝基苯甲酸乙酯 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 Name content EINECS#
16588-17-3 Ethyl 2-chloro-5-nitrobenzoate 90+% 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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