3-(1,1,2,2-四氟乙氧基)苯甲醛

3-(1,1,2,2-四氟乙氧基)苯甲醛 基本信息
CAS号 35295-35-3 分子式 C9H6F4O2
分子量 222.13600 精确质量  222.03000
PSA  26.30000 LogP  2.73580

基本信息 展开↓

CAS号:
35295-35-3
3D弹球模型:
立即前往扯扯看
分子式:
C9H6F4O2
分子量:
222.13600
中文名称:
3-(1,1,2,2-四氟乙氧基)苯甲醛
英文名称:
3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde
中文别名:
3-(1,1,2,2-四氟乙氧基)苯甲醛;
3-(1,2,2-四氟乙氧基)苯甲醛;
间四氟乙氧基苯甲醛
英文别名:
3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde;
3-tetrafluoroethoxybenzaldehyde
精确分子量/精确质量:
222.03000
极性分子表面积/PSA:
26.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00039574
EINECS:
252-496-5
PubChem:
24861018
InChI:
InChI=1/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H

物化性质展开↓

密度:
1.393 g/mL at 25 °C(lit.)
沸点:
95-97°C 9mm
闪点:
216 °F
折射率:
n20/D 1.454(lit.)

安全信息展开↓

海关代码:
2913000090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S37/39
危险标志:
Xi:Irritant;

MSDS 展开↓

Name: 3-(1 1 2 2-Tetrafluoroethoxy)benzaldehyde 95% Material Safety Data Sheet
Synonym: Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-; m-(1,1,2,2-Tetrafluoroethoxy)benzaldehyd
CAS: 35295-35-3
Section 1 - Chemical Product   MSDS Name:3-(1 1 2 2-Tetrafluoroethoxy)benzaldehyde 95% Material Safety Data Sheet
Synonym:Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-; m-(1,1,2,2-Tetrafluoroethoxy)benzaldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
35295-35-3 3-(1,1,2,2-Tetrafluoroethoxy)benzaldeh 95 252-496-5
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Causes irritation of the mucous membrane.
Chronic:
No information found.

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. Get medical aid.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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# 35295-35-3: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 95 - 97 deg C @ 8.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 102 deg C ( 215.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3930g/cm3
Molecular Formula: C9H6F4O2
Molecular Weight: 222.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 35295-35-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde - 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: 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# 35295-35-3: No information available.
Canada
CAS# 35295-35-3 is listed on Canada's NDSL List.
CAS# 35295-35-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35295-35-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2913000090

概述:
2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 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: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:44.89

2、   摩尔体积(cm3/mol):163.8

3、   等张比容(90.2K):379.2

4、   表面张力(dyne/cm):28.7

5、   极化率:17.79

6、   介电常数:未确定

计算化学数据


1.疏水参数计算参考值(XlogP):3

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:4

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:15

8.表面电荷:0

9.复杂度:220

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

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