3-硝基甲苯

外观与性状：

黄色-绿色液体

密度：

1.157 g/mL at 25 °C(lit.)

熔点：

15 °C

沸点：

230-231 °C(lit.)

闪点：

215 °F

水溶解性：

insoluble

折射率：

n20/D 1.541(lit.)

蒸汽密度：

4.73 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂、食品添加剂分开存放

稳定性相关：

1.稳定性^[16]  稳定

2.禁配物^[17]  强氧化剂、强还原剂、强碱

3.避免接触的条件^[18]  受热

4.聚合危害^[19]  不聚合

5.分解产物^[20]  氮氧化物

其它信息：

1.性状：黄色液体或结晶^[1]

2.熔点（℃）：15.1^[2]

3.沸点（℃）：231.9^[3]

4.相对密度（水=1）：1.16^[4]

5.相对蒸气密度（空气=1）：4.72^[5]

6.饱和蒸气压（kPa）：0.13（50.2℃）^[6]

7.临界压力（MPa）：3.8^[7]

8.辛醇/水分配系数：2.4~2.45^[8]

9.闪点（℃）：101.67^[9]

10.引燃温度（℃）：305^[10]

11.爆炸上限（%）：暂无资料

12.爆炸下限（%）：1.6^[11]

13.溶解性：不溶于水，溶于苯，可混溶于乙醇、乙醚。^[12]

包装等级：

II

风险类别：

6.1

海关代码：

29042000

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R33:Danger of cumulative effects. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R36/37/38:Irritating to eyes, respiratory system a

安全说明：

S36/37-S45-S61-S37-S28A-S27-S16

RTECS号：

XT2975000

安全标志：

S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:

危险标志：

T:Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XT2975000

CHEMICAL NAME :

Toluene, m-nitro-

CAS REGISTRY NUMBER :

99-08-1

LAST UPDATED :

199712

DATA ITEMS CITED :

32

MOLECULAR FORMULA :

C7-H7-N-O2

MOLECULAR WEIGHT :

137.15

WISWESSER LINE NOTATION :

WNR C1

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 :

1072 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 :

693 mg/m3

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

330 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 - mouse

DOSE/DURATION :

425 mg/m3

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1750 mg/kg

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Liver - fatty liver degeneration Blood - methemoglobinemia-carboxyhemoglobin

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

3600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

31122 mg/kg/13W-C

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in platelet count Related to Chronic Data - changes in testicular weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

67613 mg/kg/13W-C

TOXIC EFFECTS :

Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Related to Chronic Data - changes in testicular weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5600 mg/kg/14D-I

TOXIC EFFECTS :

Endocrine - changes in thymus weight Blood - changes in other cell count (unspecified)

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

30 mg/m3/4H/17W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - proteinuria Kidney, Ureter, Bladder - other changes in urine composition

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

31122 mg/kg

SEX/DURATION :

female 13 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Maternal Effects - menstrual cycle changes or disorders

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

60151 mg/kg

SEX/DURATION :

male 13 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

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Rodent - hamster Ovary

REFERENCE :

EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** REVIEWS *** ACGIH TLV-TWA 11 mg/m3 (2 ppm) (skin) 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 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,409,1996 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,409,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,409,1996 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):8H TWA 5 ppm (30 mg/m3) (skin) 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 5 ppm (30 mg/m3) (skin) 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 5 ppm (30 mg/m3) (skin) 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 5 ppm (30 mg/m3) (skin) 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 2 ppm (11 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 2 ppm (11 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 1 ppm (12 mg/m3);Skin 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 m-NITROTOLUENE-air:10H TWA 2 ppm (Sk) 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^[13]

LD50：1072mg/kg（大鼠经口）

LC50：693mg/m³（大鼠吸入）

2.刺激性  暂无资料

生态数据：

1.生态毒性^[14]

LC50：33.14mg/L（96h）（斑马鱼）；71mg/L（48h）（青鳉）；7.5mg/L（48h）（水蚤）

EC50：14mg/L（96h）（单细胞绿藻）

2.生物降解性^[15]  MITI-I测试，初始浓度100ppm，污泥浓度30ppm，14d后降解2%。

3.非生物降解性  暂无资料

分子结构数据

1、摩尔折射率：37.62

2、摩尔体积（cm³/mol）：117.5

3、等张比容（90.2K）：300.4

4、表面张力（dyne/cm）：42.6

5、介电常数：

6、偶极距（10^-24cm³）：

7、极化率：14.91

计算化学数据

1、疏水参数计算参考值（XlogP）：2.4

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）：43.1

7、重原子数量：10

8、表面电荷：0

9、复杂度：130

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

• 
  间硝基甲苯质谱(MS)
• 
  间硝基甲苯核磁图(¹³CNMR)
• 
  间硝基甲苯核磁图(¹HNMR)
• 
  间硝基甲苯红外图谱(IR1)
• 
  间硝基甲苯红外图谱(IR2)