1978-20-7 (3,4-双(三氟甲基)硝基苯,4-nitro-1,2-bis(trifluoromethyl)benzene)

CAS号:
1978-20-7
中文名称:
3,4-双(三氟甲基)硝基苯
英文名称:
4-nitro-1,2-bis(trifluoromethyl)benzene
分子式:
C8H3F6NO2
分子量:
259.105343103409

3,4-双(三氟甲基)硝基苯(1978-20-7)名称与标识符

名称

中文别名:
3,4-双(三氟甲基)硝基苯;
英文别名:
Benzene,4-nitro-1,2-bis(trifluoromethyl)-;3,4-BIS(TRIFLUOROMETHYL)NITROBENZENE;4-Nitro-1,2-bis(trifluoromethyl)benzene;4-nitro-1,2-di(trifluoromethyl)benzene;1,2-BIS(TRIFLUOROMETHYL)-4-NITROBENZENE;3,4-Bis(trifluoromethyl)nitrobenzene AldrichCPR;1,2-Bis(trifluoromethyl)-4-nitrobenzene, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-4-nitro-o-xylene;SCHEMBL1999857;AKOS003587387;Benzene, 4-nitro-1,2-bis(trifluoromethyl)-;CS-0205908;J-515857;F13746;KE-0208;MFCD00728841;FT-0619180;1978-20-7;A813944;3,4-Bis(trifluoromethyl)nitrobenzene, AldrichCPR;DTXSID50371176;3,4-BIS(TRIFLUOROMETHYL)NITROBENZENE, 97% MIN.;BBL101507;DB-044985;STL555303;

标识符

MDL:
MFCD00728841
InChIKey:
QGNGVSKFAUEJDF-UHFFFAOYSA-N
Inchi:
1S/C8H3F6NO2/c9-7(10,11)5-2-1-4(15(16)17)3-6(5)8(12,13)14/h1-3H
SMILES:
FC(C1C=C(C=CC=1C(F)(F)F)[N+](=O)[O-])(F)F

3,4-双(三氟甲基)硝基苯(1978-20-7)物化性质

实验特性

  • LogP : 4.15560
  • PSA : 45.82000
  • 沸点 : 103-104°C 18mm

计算特性

  • 精确分子量 : 259.00700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 3
  • 同位素质量 : 259.00679731g/mol
  • 重原子数量 : 17
  • 复杂度 : 294
  • 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) : 3.5
  • 拓扑分子极性表面积 : 45.8Ų

3,4-双(三氟甲基)硝基苯(1978-20-7)安全信息

3,4-双(三氟甲基)硝基苯(1978-20-7)国际标准相关数据

EINECS:
B168313

3,4-双(三氟甲基)硝基苯(1978-20-7)海关数据

海关编码:
2904909090
海关数据:

中国海关编码:

2904909090

概述:

2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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3,4-双(三氟甲基)硝基苯(1978-20-7)相关文献

  • 1. Reactions of nitrogen mono-oxide with dicyclopentadienyltitanium complexes, including the formation of isocyanate from nitrogen mono-oxide and carbon mono-oxide
    Frank Bottomley,Ivan J. B. Lin J. Chem. Soc. Dalton Trans. 1981 271

3,4-双(三氟甲基)硝基苯(1978-20-7) MSDS

基础信息

Name:4-Nitro-1 2-di(trifluoromethyl)benzene 97% Material Safety Data Sheet
Synonym:3,4-Bis(trifluoromethyl)nitrobenzen
CAS:1978-20-7
Section 1 - Chemical Product ? MSDS Name:4-Nitro-1 2-di(trifluoromethyl)benzene 97% Material Safety Data Sheet
Synonym:3,4-Bis(trifluoromethyl)nitrobenzen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
1978-20-74-Nitro-1,2-di(trifluoromethyl)benzene97%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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 1978-20-7: 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: Liquid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 103 - 104 deg C @18mmHg
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: C8H3F6NO2
Molecular Weight: 259

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1978-20-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Nitro-1,2-di(trifluoromethyl)benzene - 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# 1978-20-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1978-20-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1978-20-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A