2702-58-1 (3,5-二硝基苯甲酸甲酯,Methyl 3,5-dinitrobenzoate)

3,5-二硝基苯甲酸甲酯(2702-58-1)名称与标识符

名称

中文别名:
3,5-二硝基苯甲酸甲酯;4,7-二氟苯并噻唑;
英文别名:
Methyl 3,5-dinitrobenzoate;3,5-Dinitro-benzoesaeure-methylester;3,5-dinitrobenzoic acid methyl ester;Benzoic acid,3,5-dinitro-,methyl ester;F9995-0127;NSC 7317;3,5-Dinitrobenzoicacid methyl ester;Benzoic acid, 3,5-dinitro-, methyl ester;POGCCFLNFPIIGW-UHFFFAOYSA-N;UB421R8G90;3,5-dinitro-benzoic acid methyl ester;Methyl-3,5-dinitrobenzoate;U300;KSC494Q3H;NSC7317;BBL000013;SBB068882;STK386186;EN300-264678;FT-0628516;GS-3276;Z56823064;2702-58-1;NSC-7317;NS00049429;EINECS 220-289-9;Methyl3,5-dinitrobenzoate;AC-907/34105063;VU0549299-1;Methyl 3,5-dinitrobenzoate, Standard for quantitative NMR, TraceCERT(R);AMY31783;Methyl 3,5-dinitrobenzoate, 99%;AKOS001027311;SCHEMBL418416;SY074610;DTXSID60871874;UNII-UB421R8G90;CHEMBL2252127;J-019713;AC-25711;InChI=1/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H;W-107136;MFCD00017016;ALBB-024845;Benzoic acid, 3,5-dinitro-, methyl ester (8CI);220-289-9;FM58879;DTXCID70819489;Benzoic acid, 3,5-dinitro-, methyl ester (8CI)(9CI);

标识符

MDL:
MFCD00017016
InChIKey:
POGCCFLNFPIIGW-UHFFFAOYSA-N
Inchi:
1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
SMILES:
O(C)C(C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O
BRN:
1252593

3,5-二硝基苯甲酸甲酯(2702-58-1)物化性质

实验特性

  • LogP : 2.33600
  • PSA : 117.94000
  • 折射率 : 1.6000 (estimate)
  • 沸点 : 367.74°C (rough estimate)
  • 熔点 : 107-109 °C (lit.)
  • 闪点 : 174.1 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.6136 (rough estimate)

计算特性

  • 精确分子量 : 226.02300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 2
  • 同位素质量 : 226.023
  • 重原子数量 : 16
  • 复杂度 : 285
  • 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) : 1.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 118

3,5-二硝基苯甲酸甲酯(2702-58-1)国际标准相关数据

EINECS:
7317

3,5-二硝基苯甲酸甲酯(2702-58-1)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%

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3,5-二硝基苯甲酸甲酯(2702-58-1)相关文献

3,5-二硝基苯甲酸甲酯(2702-58-1)参考资料

Beilstein:
1252593
PubChem CID:

3,5-二硝基苯甲酸甲酯(2702-58-1) MSDS

基础信息

Name:Methyl 3 5-dinitrobenzoate 99% Material Safety Data Sheet
Synonym:
CAS:2702-58-1
Section 1 - Chemical Product ? MSDS Name:Methyl 3 5-dinitrobenzoate 99% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
2702-58-1Methyl 3,5-dinitrobenzoate99220-289-9
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 2702-58-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 107 - 109 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:
Specific Gravity/Density:
Molecular Formula: C8H6N2O6
Molecular Weight: 226.15

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 2702-58-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 3,5-dinitrobenzoate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 2702-58-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2702-58-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2702-58-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A