4-(Trifluoromethoxy)nitrobenzene
- 中文别名：4-(三氟甲氧基)硝基苯
- 中文释义：1-硝基-4-(三氟甲氧基)苯;4-(三氟甲氧基)硝基苯;4-硝基三氟甲氧基苯;对硝基三氟甲氧基苯;对三氟甲氧基硝基苯
- 英文别名：1-Nitro-4-(trifluoromethoxy)benzene;
4-(Trifluoromethoxy)nitrobenzene
- CAS No.：713-65-5
- 分子式：C7H4F3NO3
- 分子量：207.11
- 精确分子量：207.01400
- PSA：55.05000
- MDL：MFCD00040302
- InChI：InChI=1/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
- 分子结构式：
物化性质
- 密度：
- 1,447 g/cm3
- 熔点：
- 15°C
- 沸点：
- 87 °C
- 闪点：
- 87-89°C/15mm
- 折射率：
- 1.467
- 存储条件/存储方法：
存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。
- 稳定性相关：
远离氧化物,高温,明火。
- 其它信息：
1. 性状：浅黄色液体。
2. 密度（g/mL,25/4℃）：1.447
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：15
5. 沸点（ºC,常压）：87 4-(三氟甲氧基)硝基苯 安全信息
- 海关代码：
- 2909309090
- 危险类别码：
- R36/37/38
- 安全说明：
- S26-S36
- 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。
S36:穿戴合适的防护服装。 - 危险标志：
- Xi:Irritant;
安全信息
- 密度：
- 1,447 g/cm3
- 熔点：
- 15°C
- 沸点：
- 87 °C
- 闪点：
- 87-89°C/15mm
- 折射率：
- 1.467
- 存储条件/存储方法：
存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。
- 稳定性相关：
远离氧化物,高温,明火。
- 其它信息：
1. 性状：浅黄色液体。
2. 密度（g/mL,25/4℃）：1.447
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：15
5. 沸点（ºC,常压）：87
4-(三氟甲氧基)硝基苯 安全信息
- 海关代码：
- 2909309090
- 危险类别码：
- R36/37/38
- 安全说明：
- S26-S36
- 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。
S36:穿戴合适的防护服装。 - 危险标志：
- Xi:Irritant;
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。
MSDS
| Name: | 1-Nitro-4-(trifluoromethoxy)benzene 97% Material Safety Data Sheet |
| Synonym: | |
| CAS: | 713-65-5 |
Section 1 - Chemical Product MSDS Name:1-Nitro-4-(trifluoromethoxy)benzene 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 713-65-5 | 1-Nitro-4-(trifluoromethoxy)benzene | 97% | 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# 713-65-5: 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: colorless - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 87 - 89 deg C @15mmHg
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: C7H4F3NO3
Molecular Weight: 207
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acids, bases.
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# 713-65-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Nitro-4-(trifluoromethoxy)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# 713-65-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 713-65-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 713-65-5 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2909309090
- 概述：
- 2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。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
- 摘要/Summary：
- 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：39.93
2、 摩尔体积（m3/mol）：141.6
3、 等张比容（90.2K）：343.0
4、 表面张力（dyne/cm）：34.3
5、 介电常数：
6、 偶极距（10-24cm3）：
7、 极化率：15.83
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:6
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积55
7.重原子数量:14
8.表面电荷:0
9.复杂度:205
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
