易使宁

易使宁 基本信息
CAS号 13838-16-9 分子式 C3H2ClF5O
分子量 184.49200 精确质量  183.97100
PSA  9.23000 LogP  2.35280

基本信息 展开↓

CAS号:
13838-16-9
3D弹球模型:
立即前往扯扯看
分子式:
C3H2ClF5O
分子量:
184.49200
中文名称:
易使宁
英文名称:
enflurane
中文别名:
易使宁;
(±)-2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane;
恩氟烷
英文别名:
enflurane;
2-CHLORO-1,1,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER;
2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether;
2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane;
2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
精确分子量/精确质量:
183.97100
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:
MFCD00069095
EINECS:
237-553-4
BRN:
1737129
InChI:
The Key: JPGQOUSTVILISH-UHFFFAOYSA-N

物化性质展开↓

密度:
1.517
沸点:
56 °C
闪点:
56-57°C
折射率:
1.303
蒸汽压:
272mmHg at 25°C
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料  氧化物

其它信息:

1.      性状:无色液体

2.      密度(g/mL,25/4℃):1.517

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):56-57

6.      沸点(ºC,5.2kPa):未确定

7.      折射率:未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):-3.5

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):201.88

15.   临界压力(MPa):2.980

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:不能拌和的或难以拌和的

安全信息展开↓

海关代码:
2909199090
危险类别码:
R36
安全说明:
S23-S26-S36
RTECS号:
KN6800000
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。
S36:穿戴合适的防护服装。
危险标志:
F,T

合成路线查看所有的合成路线

  • 428-96-6

    (2S,11R,11aS)-2,8-二羟基-7,11-二甲氧基-1,2,3,10,11,11a-六氢-5H-吡咯并[2,1-c][1,4]苯并二氮卓-5-酮

  • 13838-16-9

    易使宁

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KN6800000
CHEMICAL NAME :
Ether, 2-chloro-1,1,2-trifluoroethyl difluoromethyl
CAS REGISTRY NUMBER :
13838-16-9
LAST UPDATED :
199712
DATA ITEMS CITED :
39
MOLECULAR FORMULA :
C3-H2-Cl-F5-O
MOLECULAR WEIGHT :
184.50
WISWESSER LINE NOTATION :
GYFXFFOYFF

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 :
1 pph/6H
TOXIC EFFECTS :
Kidney, Ureter, Bladder - urine volume decreased
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5450 uL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14000 ppm/3H
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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 mL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
19500 uL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 mL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8100 ppm/3H
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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3900 uL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38800 uL/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
170 ppm/3H/4W-I
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3000 ppm/4H/78W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
16500 ppm/6H
SEX/DURATION :
female 8-10 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 :
20 ppm/8H
SEX/DURATION :
female 28 day(s) pre-mating 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 :
1500 ppm/6H
SEX/DURATION :
female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - other postnatal measures or effects
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
16500 ppm/6H
SEX/DURATION :
female 11-13 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 :
1 pph/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 :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
10000 ppm/4H
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
10000 ppm/4H
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
Mutation test systems - not otherwise specified
TYPE OF TEST :
Sperm Morphology

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 *** ACGIH TLV-Not classifiable as a human carcinogen 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 ACGIH TLV-TWA 566 mg/m3 (75 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 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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.5 ppm (3.8 mg/m3) JAN 1993 OEL-BELGIUM:TWA 75 ppm (566 mg/m3) JAN 1993 OEL-DENMARK:TWA 2 ppm (15 mg/m3) JAN 1993 OEL-SWEDEN:TWA 10 ppm (80 mg/m3);STEL 20 ppm (150 mg/m3) 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 ENFLURANE-air:CL 2 ppm/60M 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 : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3127 No. of Facilities: 2871 (estimated) No. of Industries: 2 No. of Occupations: 12 No. of Employees: 86214 (estimated) No. of Female Employees: 73439 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9341 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 453 (estimated) No. of Female Employees: 329 (estimated)
毒理学数据:

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

海关数据查看详细

中国海关编码:2909199090

概述:
2909199090. 其他无环醚及其卤化衍生物(包括磺化,硝化或亚硝化衍生物). 增值税率:17.0%. 退税率:13.0%. 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:
2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN 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:23.24

2、  摩尔体积(cm3/mol):123.8

3、  等张比容(90.2K):247.0

4、  表面张力(dyne/cm):15.8

5、  极化率(10-24cm3):9.21

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:3

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:10

8.表面电荷:0

9.复杂度:107

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:1

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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  • 428-96-6

    (2S,11R,11aS)-2,8-二羟基-7,11-二甲氧基-1,2,3,10,11,11a-六氢-5H-吡咯并[2,1-c][1,4]苯并二氮卓-5-酮

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