硝基乙烷

外观与性状：

无色液体

密度：

1.009±0.06 g/cm3

熔点：

-90 °C

沸点：

109.2±3.0 °C

闪点：

32.8±7.2 °C

水溶解性：

Soluble (53 g/L)

折射率：

n20/D 1.391(lit.)

蒸汽密度：

29.4 Torr

存储条件/存储方法：

库房通风低温干燥,与氧化剂、碱类和烃类分开存放

稳定性相关：

1.用石蕊试纸试验硝基乙烷水溶液呈酸性。0.01mol/L水溶液pH 5.20；饱和水溶液pH 3.85；水饱和硝基乙烷pH 3.75。

2.与硝基甲烷相同，在碱性溶液中与羰基化合物发生加成反应，生成β-硝基醇。

3.与空气形成爆炸性混合物，爆炸极限3%-5%（体积）。具有很高吸附热，无水硝基乙烷或其蒸气大量吸附在活性炭上会导致燃烧。

4.稳定性^[18]  稳定

5.禁配物^[19]  强还原剂、强酸、强碱、胺类

6.避免接触的条件^[20]  震动、受热

7.聚合危害^[21]  不聚合

8.分解产物^[22]  氮氧化物

其它信息：

1.性状：无色油状液体，有令人不愉快的气味。^[1]

2.pH值：6.0（0.01mol/L水溶液）^[2]

3.熔点（℃）：-90^[3]

4.沸点（℃）：114.0^[4]

5.相对密度（水=1）：1.05^[5]

6.相对蒸气密度（空气=1）：2.58^[6]

7.饱和蒸气压（kPa）：2.08（20℃）^[7]

8.燃烧热（kJ/mol）：-1362^[8]

9.临界温度（℃）：388^[9]

10.临界压力（MPa）：4.9^[10]

11.辛醇/水分配系数：0.18^[11]

12.闪点（℃）：28（CC）^[12]

13.引燃温度（℃）：414.5^[13]

14.爆炸上限（%）：17.3^[14]

15.爆炸下限（%）：3.4^[15]

16.溶解性：不溶于冷水、微溶于热水，可混溶于甲醇、乙醇、氯仿、乙醚。^[16]

包装等级：

III

风险类别：

3

海关代码：

2942000000

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R10;R20/22

安全说明：

S9-S23-S41-S25

RTECS号：

KI5600000

安全标志：

S9:保持容器在一个有良好通风放的场所。
S23:不要吸入蒸汽。
S25:避免接触眼睛。
S41:当发生火灾和/或爆炸时，不要吸入烟雾。

危险标志：

Xn:Harmful;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KI5600000

CHEMICAL NAME :

Ethane, nitro-

CAS REGISTRY NUMBER :

79-24-3

LAST UPDATED :

199712

DATA ITEMS CITED :

42

MOLECULAR FORMULA :

C2-H5-N-O2

MOLECULAR WEIGHT :

75.08

WISWESSER LINE NOTATION :

WN2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - child

DOSE/DURATION :

1478 uL/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - respiratory obstruction Lungs, Thorax, or Respiration - cyanosis Blood - methemoglobinemia-carboxyhemoglobin

REFERENCE :

JTCTDW Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 32,321,1994

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1100 mg/kg

TOXIC EFFECTS :

Behavioral - general anesthetic Behavioral - tremor Behavioral - excitement

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(9),9,1967

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

13000 ppm/6H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,1105,1991

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1600 mg/kg

TOXIC EFFECTS :

Blood - methemoglobinemia-carboxyhemoglobin

REFERENCE :

BSPLA9 Bulletin de la Societe de Pharmacie de Lille. (Societe de Pharmacie du Lille, 3, rue du Professeur Laguesse, 59045 Lille, Franch) V.1- 1945- Volume(issue)/page/year: (4),137,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

860 mg/kg

TOXIC EFFECTS :

Behavioral - general anesthetic Behavioral - tremor Behavioral - excitement

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(9),9,1967

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

19500 mg/m3/2H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,93,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

310 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 10(6),53,1976

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 22,315,1940

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

5000 ppm/2H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 22,315,1940

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

10000 ppm/3H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 22,315,1940 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2000 ppm/6H/4D-I

TOXIC EFFECTS :

Behavioral - hallucinations, distorted perceptions Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539250

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1000 ppm/6H/13W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - cyanosis Blood - methemoglobinemia-carboxyhemoglobin Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539250

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2000 ppm/6H/4D-I

TOXIC EFFECTS :

Behavioral - hallucinations, distorted perceptions Related to Chronic Data - death

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539250

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1000 ppm/6H/13W-I

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539250 *** REVIEWS *** ACGIH TLV-TWA 307 mg/m3 (100 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 100 ppm (310 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: 3,185,1971 OSHA PEL (Gen Indu):8H TWA 100 ppm (310 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 100 ppm (310 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 100 ppm (310 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 100 ppm (310 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 100 ppm (310 mg/m3) JAN 1993 OEL-BELGIUM:TWA 100 ppm (307 mg/m3) JAN 1993 OEL-DENMARK:TWA 100 ppm (310 mg/m3) JAN 1993 OEL-FINLAND:TWA 100 ppm (310 mg/m3);STEL 150 ppm (465 mg/m3) JAN 1993 OEL-FRANCE:TWA 100 ppm (310 mg/m3) JAN 1993 OEL-GERMANY:TWA 100 ppm (310 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 100 ppm (310 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 100 ppm (310 mg/m3) JAN 1993 OEL-POLAND:TWA 30 mg/m3 JAN 1993 OEL-RUSSIA:STEL 30 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 100 ppm (310 mg/m3) JAN 1993 OEL-TURKEY:TWA 100 ppm (310 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 100 ppm (310 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 NITROETHANE-air:10H TWA 100 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 : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 50795 No. of Facilities: 109 (estimated) No. of Industries: 8 No. of Occupations: 10 No. of Employees: 6001 (estimated) No. of Female Employees: 1652 (estimated)

毒理学数据：

1.急性毒性^[17]  LD50：1100mg/kg（大鼠经口）；860mg/kg（小鼠经口）

2.刺激性  暂无资料

生态数据：

1.生态毒性  暂无资料

2.生物降解性  暂无资料

3.非生物降解性  暂无资料

分子结构数据

1、摩尔折射率：17.33

2、摩尔体积（cm³/mol）：74.3

3、等张比容（90.2K）：170.2

4、表面张力（dyne/cm）：27.5

5、极化率（10^-24cm³）：6.87

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:2

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积45.8

7.重原子数量:5

8.表面电荷:0

9.复杂度:37.4

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

• 
  硝基乙烷红外图谱(IR1)
• 
  硝基乙烷红外图谱(IR2)
• 
  硝基乙烷质谱(MS)
• 
  硝基乙烷核磁图(¹³CNMR)
• 
  硝基乙烷Raman光谱
• 
  硝基乙烷核磁图(¹HNMR)