三氟乙醇

外观与性状：

无色液体

密度：

1.391 g/mL at 20 °C

熔点：

−44 °C(lit.)

沸点：

77-80 °C(lit.)

闪点：

85 °F

折射率：

n20/D 1.3(lit.)

蒸汽密度：

3.5 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂分开存放

稳定性相关：

1.稳定性^[14]  稳定

2.禁配物^[15]  强氧化剂、强碱、钾、钠

3.避免潮湿的条件^[16]  潮湿空气

4.聚合危害^[17]  不聚合

5.分解产物^[18]  氟化氢

其它信息：

1.性状：无色液体^[1]

2.熔点（℃）：-43.5^[2]

3.沸点（℃）：103~105（98.7kPa）^[3]

4.相对密度（水=1）：1.288~1.373^[4]

5.相对蒸气密度（空气=1）：3.45^[5]

6.饱和蒸气压（kPa）：9.31（25℃）^[6]

7.辛醇/水分配系数：0.41^[7]

8.闪点（℃）：29.44（CC）^[8]

9.爆炸上限（%）：42^[9]

10.爆炸下限（%）：5.5^[10]

11.溶解性：与水混溶，可混溶于多数有机溶剂。^[11]

12.相对密度（25℃，4℃）：1.3816

13.气相标准声称热(焓)( kJ·mol^-1) ：-878.81

14.液相标准声称热(焓)( kJ·mol^-1)：-922.78

包装等级：

III

风险类别：

3

海关代码：

2905590090

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R10;R20/21/22;R38;R41;R62

安全说明：

S26-S36-S39-S45-S36/37/39-S16

RTECS号：

KM5250000

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。
S36:穿戴合适的防护服装。
S39:佩戴眼/面防护装置。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KM5250000

CHEMICAL NAME :

Ethanol, 2,2,2-trifluoro-

CAS REGISTRY NUMBER :

75-89-8

BEILSTEIN REFERENCE NO. :

1733203

LAST UPDATED :

199710

DATA ITEMS CITED :

21

MOLECULAR FORMULA :

C2-H3-F3-O

MOLECULAR WEIGHT :

100.05

WISWESSER LINE NOTATION :

Q1XFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,517,1986

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,517,1986

TYPE OF TEST :

Rinsed with water

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: LMF-84 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

240 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,607,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1680 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,607,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

210 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 71,84,1983

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

366 mg/kg

TOXIC EFFECTS :

Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 15,83,1969

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2900 mg/m3/2H

TOXIC EFFECTS :

Brain and Coverings - changes in circulation (hemorrhage, thrombosis, etc.) Behavioral - general anesthetic Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 13(10),29,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

158 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay)

REFERENCE :

AMEBA7 Annales Medicinae Experimentalis et Biologiae Fenniae. (Helsinki, Finland) V.25-51, 1947-73. For publisher information, see MDBYAS. Volume(issue)/page/year: 46,242,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

250 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay)

REFERENCE :

AMEBA7 Annales Medicinae Experimentalis et Biologiae Fenniae. (Helsinki, Finland) V.25-51, 1947-73. For publisher information, see MDBYAS. Volume(issue)/page/year: 46,242,1968

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

400 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 15,83,1969 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

350 mg/m3/4H/4W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - other changes in urine composition Blood - normocytic anemia Related to Chronic Data - death

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 13(10),29,1969

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

350 mg/m3/4H/4W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - other changes in urine composition Blood - normocytic anemia Related to Chronic Data - death

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 13(10),29,1969

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

1 gm/kg/5W-I

TOXIC EFFECTS :

Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes Skin and Appendages - hair

REFERENCE :

TOPADD Toxicologic Pathology. (c/o Dr. F.A. de la Iglesia, Warner-Lambert Co., Pharmaceutical Research Div., POB 1047, Ann Arbor, MI 48106) V.6(3/4)- 1978- Volume(issue)/page/year: 15,417,1987 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

100 ppm/6H

SEX/DURATION :

male 14 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

REFERENCE :

TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 1,27,1981

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

200 mg/kg

SEX/DURATION :

male 4 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male

REFERENCE :

TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 4,137,1984

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

400 mg/m3/6H

SEX/DURATION :

male 8 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :

TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 18(Suppl 1),138,1983

毒理学数据：

1、皮肤/眼睛刺激性

标准的Draize试验：兔子，皮肤接触：750μg/24H，反应的严重程度：严重。

标准的Draize试验：兔子，眼睛接触：20mg/24H，反应的严重程度：中度。

标准的Draize试验：兔子，眼睛接触：100mg/20s，反应的严重程度：严重。

2、急性毒性：大鼠经口LD50：240mg/kg；大鼠经皮肤接触的LD50：1680mg/kg；兔子经皮肤接触的LD50：390μL/kg；大鼠经吸入LC50：470ppm/6H；

3、吸入、口服或与皮肤接触有毒。对眼睛及皮肤有刺激性。

4.急性毒性^[12]

LD50：240mg/kg（大鼠经口）；1680mg/kg（大鼠经皮）；366mg/kg（小鼠经口）

LC50：2900mg/m³（小鼠吸入，2h）

5.刺激性^[13]

家兔经皮：0.75mg（24h），重度刺激。

家兔经眼：100mg（20s），重度刺激。

生态数据：

对水稍微危害，避免未稀释或大量的产品接触地下水、水道或污水系统。

中国海关编码：2905590090

概述：

2905590090 其他无环醇的卤化、磺化等衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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, 包装

摘要/Summary：

2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构数据

1、摩尔折射率：13.30

2、摩尔体积（cm³/mol）：75.4

3、等张比容（90.2K）：152.0

4、表面张力（dyne/cm）：16.5

5、极化率（10^-24cm³）：5.27

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:1

3.氢键受体数量:4

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20.2

7.重原子数量:6

8.表面电荷:0

9.复杂度:38.5

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

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  2-三氟乙醇红外图谱(IR1)
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