2-Nitro-a,a,a-trifluorotoluene

物化性质

外观与性状：

黄色晶体

密度：

1.417 g/cm3

熔点：

32ºC

沸点：

216ºC

闪点：

95ºC

水溶解性：

insoluble

折射率：

1.281

安全信息

外观与性状：

黄色晶体

密度：

1.417 g/cm3

熔点：

32ºC

沸点：

216ºC

闪点：

95ºC

水溶解性：

insoluble

折射率：

1.281

MSDS

Name:	2-Nitro-alpha alpha alpha-trifluoro- toluene 99% Material Safety Data Sheet
Synonym:	2-Nitrobenzotrifluorid
CAS:	384-22-5

Section 1 - Chemical Product   MSDS Name:2-Nitro-alpha alpha alpha-trifluoro- toluene 99% Material Safety Data Sheet
Synonym:2-Nitrobenzotrifluorid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
384-22-5	2-Nitro-_,_,_-trifluorotoluene, 99%		206-855-8

Hazard Symbols: XN
Risk Phrases: 22 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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.
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.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal.
Section 7 - HANDLING and STORAGE
  Handling:
Not available.
Storage:
Not available.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 384-22-5: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 104.0 - 105.0 deg C @ 20.00mm
Freezing/Melting Point: 31.00 - 32.00 deg C
Autoignition Temperature: Not available.
Flash Point: 95 deg C ( 203.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H4F3NO2
Molecular Weight: 191.11
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents - strong bases - strong reducing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, nitrogen.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 384-22-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Nitro-_,_,_-trifluorotoluene, 99% - 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
Shipping Name: NITROBENZOTRIFLUORIDES
Hazard Class: 6.1
UN Number: 2306
Packing Group: II
IMO
Shipping Name: NITROBENZOTRIFLUORIDES, LIQUID or SOLID
Hazard Class: 6.1
UN Number: 2306
Packing Group: II
RID/ADR
Shipping Name: NITROBENZOTRIFLUORIDES
Hazard Class: 6.1
UN Number: 2306
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 384-22-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 384-22-5 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 384-22-5 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：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

摘要/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%

分子结构与计算化学数据

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:5

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:45.8

7.重原子数量:13

8.表面电荷:0

9.复杂度:199

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