2,2-二氯-1,1-二氟乙基甲基醚

2,2-二氯-1,1-二氟乙基甲基醚 基本信息
CAS号 76-38-0 分子式 C3H4Cl2F2O
分子量 164.96600 精确质量  163.96100
PSA  9.23000 LogP  2.02930

基本信息 展开↓

CAS号:
76-38-0
3D弹球模型:
立即前往扯扯看
分子式:
C3H4Cl2F2O
分子量:
164.96600
中文名称:
2,2-二氯-1,1-二氟乙基甲基醚
英文名称:
methoxyflurane
中文别名:
2,2-二氯-1,1-二氟乙基甲基醚;
甲氧氟烷
英文别名:
methoxyflurane;
2,2-Dichloro-1,1-Difluoroethyl Methyl Ether;
2,2-dichloro-1,1-difluoro-1-methoxyethane
精确分子量/精确质量:
163.96100
极性分子表面积/PSA:
9.23000
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:
MFCD00040144
EINECS:
200-956-0
BRN:
1737766
InChI:
InChI=1/CH3FO/c1-3-2/h1H3

生产制备方法及用途展开↓

制备方法


工业上采用二氯二氟乙烷和甲醇在碱性催化剂存在下得粗醚,再经氧化、分离、中和而得。

合成制备方法


工业上采用二氯二氟乙烷和甲醇在碱性催化剂存在下得粗醚,再经氧化、分离、中和而得。

用途简介


为较新的全身吸入麻醉剂。在已知的吸入全麻药中,其全麻效能最强,并有明显的肌松作用。现多用于浅全麻。

用途


为较新的全身吸入麻醉剂。在已知的吸入全麻药中,其全麻效能最强,并有明显的肌松作用。现多用于浅全麻。

物化性质展开↓

外观与性状:
无色液体
密度:
1.4262
熔点:
-36°C
沸点:
103 °C
闪点:
37°C
折射率:
1.386
存储条件/存储方法:

   本品应密封于阴凉干燥处避光保存。                                                                        

其它信息:

        1.       性状:无色流动的透明液体。有水果香味

2.       密度(g/mL,25/4℃):1.426220/4℃)

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):-35

5.       沸点(ºC,常压):104.6℃,(13.3kPa

6.       沸点(ºC,5.2kPa):不确定

7.       折射率:1.3839

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:37℃在水中溶解度0.195g/100g

 

 

安全信息展开↓

包装等级:
III
风险类别:
3
危险类别码:
R10
安全说明:
S23-S24/25
RTECS号:
KN7820000
安全标志:
S23:不要吸入蒸汽。
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:
Xi

合成路线查看所有的合成路线

  • 79-35-6

    1,1-二氯-2,2-二氟乙烯

  • +

  • 124-41-4

    甲醇钠

  • 76-38-0

    2,2-二氯-1,1-二氟乙基甲基醚

  • 67-56-1

    甲醇

  • +

  • 79-35-6

    1,1-二氯-2,2-二氟乙烯

  • 76-38-0

    2,2-二氯-1,1-二氟乙基甲基醚

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KN7820000
CHEMICAL NAME :
Ether, 2,2-dichloro-1,1-difluoroethyl methyl
CAS REGISTRY NUMBER :
76-38-0
BEILSTEIN REFERENCE NO. :
1737766
LAST UPDATED :
199710
DATA ITEMS CITED :
34
MOLECULAR FORMULA :
C3-H4-Cl2-F2-O
MOLECULAR WEIGHT :
164.97
WISWESSER LINE NOTATION :
GYGXFFO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
3500 ppm/1H
TOXIC EFFECTS :
Kidney, Ureter, Bladder - renal function tests depressed
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
33500 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21500 mg/m3
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - excitement
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
3600 mg/kg
TOXIC EFFECTS :
Behavioral - antipsychotic
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
34 gm/m3
TOXIC EFFECTS :
Behavioral - antipsychotic
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 ppm/24H/14W-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - other changes in urine composition Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
48600 mg/m3/4H/30D-I
TOXIC EFFECTS :
Liver - other changes
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
100 ppm/8H
SEX/DURATION :
female 1-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
400 ppm/8H
SEX/DURATION :
female 1-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
2 ppm/4H
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
2000 ppm/4H
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :
Bird - chicken
REFERENCE :
ENVRAL Environmental Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1967- Volume(issue)/page/year: 12,366,1976 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,93,1987 TOXICOLOGY REVIEW ARPTDI Annual Review of Pharmacology and Toxicology. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.16- 1976- Volume(issue)/page/year: 16,67,1976 TOXICOLOGY REVIEW KDYIA5 Kidney International. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus Secaucus, NJ 07094) V.1- 1972- Volume(issue)/page/year: 10,82,1976 TOXICOLOGY REVIEW CANJAE Canadian Anaesthetists' Society Journal. (Toronto, Ont., Canada) V.1-33, 1954-86. Volume(issue)/page/year: 19,152,1972 TOXICOLOGY REVIEW ARMCAH Annual Review of Medicine. (Annual Reviews, Inc., POB 10139, Palo Alto, CA 94303) V.1- 1950- Volume(issue)/page/year: 25,411,1974 TOXICOLOGY REVIEW AACRAT Anesthesia and Analgesia (New York). (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.36- 1957- Volume(issue)/page/year: 57,328,1978 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 2 ppm (14 mg/m3) JAN 1993 OEL-RUSSIA:STEL 200 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO METHOXYFLURANE-air:CL 2 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 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82904 No. of Facilities: 627 (estimated) No. of Industries: 2 No. of Occupations: 6 No. of Employees: 8095 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82904 No. of Facilities: 2120 (estimated) No. of Industries: 2 No. of Occupations: 14 No. of Employees: 32772 (estimated) No. of Female Employees: 18210 (estimated)

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:27.64

2、   摩尔体积(m3/mol):118.5

3、   等张比容(90.2K):259.5

4、   表面张力(dyne/cm):23.0

5、   极化率10-24cm3):10.95

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:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:8

8.表面电荷:0

9.复杂度:75.7

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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