1,1,1,2-四氯-2,2-二氟乙烷

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

1,1,1,2-四氯-2,2-二氟乙烷 基本信息

中文名称:
1,1,1,2-四氯-2,2-二氟乙烷 
中文别名:
1,1,1,2-四氯-2,2-二氟乙烷;
2,2-二氟四氯乙烷;
2,2-二氟-5-氨基-6-氯-1,3-苯并二噁唑;
OZONE DEPLETING;
1,1-二氟-1,2,2,2-四氯乙烷 
英文名称:
1,1,1,2-Tetrachloro-2,2-difluoroethane
英文别名:
1,1-DIFLUOROTETRACHLOROETHANE;
cfc112a;
difluorotetrachloroethane;
2,2-DIFLUORO-5-AMINO-6-CHLORO-1,3-BENZODIOXOLE;
tetrachlorodifluoroethane;
1,1-difluoro-1,2,2,2-tetrachloroethane;
1-chloro-1,1-difluoro-2,2,2-trichloro-ethane;
tetrachloro-2,2-difluoroethane;
Genetron131;
1,1-difluoro-tetrachloroethane;
refrigerant112a;
Fron-112a;
freon112a;
f112a;
Freon BU;
halocarbon112a;
r112a;
1,1,1,2-tetrachloro-2,2-difluoroethane 
CAS No.:
76-11-9
分 子 式:

C2Cl4F2

分 子 量:
203.83
精确分子量:
201.87200
PSA:
0.00000
MDL:
MFCD00000798
EINECS:
200-934-0
InChI:
The Key: SLGOCMATMKJJCE-UHFFFAOYSA-N
危险品标志:

N-Xi

风险术语:

R59R36/37/38

安全术语:

S26S59S37/S39

分子结构式:
SDS:
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1,1,1,2-四氯-2,2-二氟乙烷 制备方法及用途

制备方法

搅拌下将无水三氯化铝迅速加入己熔化的氟里昂112中,保温搅拌2-3h,再升温至60-70℃,保温过滤,滤液分馏,收集91-92℃馏分,得2,2-二氟四氯乙烷。收率70%。

合成制备方法

搅拌下将无水三氯化铝迅速加入己熔化的氟里昂112中,保温搅拌2-3h,再升温至60-70℃,保温过滤,滤液分馏,收集91-92℃馏分,得2,2-二氟四氯乙烷。收率70%

用途简介

药物麻醉剂甲氧氟烷的中间体;可作发泡剂、抛射剂、制冷剂。

用途

药物麻醉剂甲氧氟烷的中间体;可作发泡剂、抛射剂、制冷剂。

1,1,1,2-四氯-2,2-二氟乙烷 物化性质

外观与性状:
无色结晶固体
密度:
1.726 g/cm3
熔点:
39-44ºC
沸点:
93.3ºC at 760 mmHg
闪点:
11.8ºC
存储条件/存储方法:
库房低温,通风,干燥,密闭保存
其它信息:

 

1.       性状:不确定

2.       密度(g/mL,25/4℃):(20/4℃)1.65

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):38-40

5.       沸点(ºC,常压):91

6.       沸点(ºC,5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

 

 

 

1,1,1,2-四氯-2,2-二氟乙烷 安全信息

危险类别码:
R59;R36/37/38
安全说明:
S59-S37/39-S26
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。
危险标志:
N: Dangerous for the environment;Xi: Irritant;

1,1,1,2-四氯-2,2-二氟乙烷 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KI1425000
CHEMICAL NAME :
Ethane, 2,2-difluoro-1,1,1,2-tetrachloro-
CAS REGISTRY NUMBER :
76-11-9
BEILSTEIN REFERENCE NO. :
1699461
LAST UPDATED :
199712
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C2-Cl4-F2
MOLECULAR WEIGHT :
203.82
WISWESSER LINE NOTATION :
GXGGXGFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 210,744,1966
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20000 ppm/30M
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,1,1971 *** REVIEWS *** ACGIH TLV-TWA 4170 mg/m3 (500 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 500 ppm (4170 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,249,1971 OSHA PEL (Gen Indu):8H TWA 500 ppm (4170 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 500 ppm (4170 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 500 ppm (4170 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 500 ppm (4170 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 500 ppm (4170 mg/m3) JAN 1993 OEL-BELGIUM:TWA 500 ppm (4170 mg/m3) JAN 1993 OEL-DENMARK:TWA 500 ppm (4170 mg/m3) JAN 1993 OEL-FINLAND:TWA 500 ppm (4170 mg/m3);STEL 625 ppm (5215 mg/m3) JAN 1993 OEL-FRANCE:TWA 500 ppm (4170 mg/m3) JAN 1993 OEL-GERMANY:TWA 1000 ppm (8340 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 500 ppm (4170 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 500 ppm (4170 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 500 ppm (4200 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 100 ppm (834 mg/m3);STEL 100 ppm JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 1,1,1,2-TETRACHLORO-2,2-DIFLUOROETHANE-air:TWA 500 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992
毒理学数据:

1、急性毒性

大鼠口径LD50:>8mg/kg

大鼠吸入LC50: 20000PPM/30m

1,1,1,2-四氯-2,2-二氟乙烷 MSDS

Name: 2 2-Difluorotetrachloroethane 97% Material Safety Data Sheet
Synonym: 1,1,1,2-Tetrachloro-2,2-Difluoroethane; Halocarbon 112
CAS: 76-11-9
Section 1 - Chemical Product   MSDS Name:2 2-Difluorotetrachloroethane 97% Material Safety Data Sheet
Synonym:1,1,1,2-Tetrachloro-2,2-Difluoroethane; Halocarbon 112

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
76-11-9 1,1,1,2-Tetrachloro-2,2-Difluoroethane 97 200-934-0
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Vapor reduces oxygen available for breathing. May cause respiratory tract irritation.
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. If irritation develops, get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. Get medical aid if irritation or symptoms occur.
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 if cough or other symptoms appear.
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. Wash hands before eating. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
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# 76-11-9: United States OSHA: 500 ppm TWA; 4170 mg/m3 TWA Belgium - TWA: 500 ppm VLE; 4231 mg/m3 VLE France - VME: 500 ppm VME; 4170 mg/m3 VME Germany: 1000 ppm TWA; 8500 mg/m3 TWA Malaysia: 500 ppm TWA; 4170 mg/m3 TWA Netherlands: 500 ppm MAC; 4170 mg/m3 MAC 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:
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: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 91 deg C @ 760.00mm Hg
Freezing/Melting Point: 41 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 1.6490g/cm3
Molecular Formula: C2Cl4F2
Molecular Weight: 203.83

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 76-11-9: KI1425000 LD50/LC50:
CAS# 76-11-9: Inhalation, mouse: LC50 = 123000 mg/m3/2H; Inhalation, rat: LC50 = 125000 mg/m3/4H; Oral, rat: LD50 = >8 gm/kg.
Carcinogenicity:
1,1,1,2-Tetrachloro-2,2-Difluoroethane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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# 76-11-9: No information available.
Canada
CAS# 76-11-9 is listed on Canada's NDSL List.
CAS# 76-11-9 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 76-11-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,1,1,2-四氯-2,2-二氟乙烷 分子结构与计算化学数据

分子结构数据

      1、   摩尔折射率:30.97

2、   摩尔体积(m3/mol):118.0

3、   等张比容(90.2K):274.6

4、   表面张力(dyne/cm):29.2

5、   极化率10-24cm3):12.27

计算化学数据

1、   疏水参数计算参考值(XlogP):3.4

2、   氢键供体数量:0

3、   氢键受体数量:2

4、   可旋转化学键数量: 0

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):0

7、   重原子数量:8

8、   表面电荷:0

9、   复杂度:84.5

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

1,1,1,2-四氯-2,2-二氟乙烷 表征图谱

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