三硝基甲苯

外观与性状：

黄色晶体

密度：

1.654g/cm3

熔点：

80.9℃

沸点：

240ºC

闪点：

2 °C

折射率：

1.655

蒸汽压：

1.49E-06mmHg at 25°C

存储条件/存储方法：

轻装轻放,库房通风、远离明火、高温、阳光、与氧化剂、碱分开存放

稳定性相关：

1.稳定性^[20]  稳定

2.禁配物^[21]  强氧化剂、氨、胺类等

3.避免接触的条件^[22]  受热、摩擦、震动、撞击

4.聚合危害^[23]  不聚合

5.分解产物^[24]  氮氧化物

其它信息：

1.性状：白色或黄色针状结晶，无臭，有吸湿性。^[1]

2.熔点（℃）：80.1^[2]

3.沸点（℃）：240（分解）^[3]

4.相对密度（水=1）：1.65^[4]

5.相对蒸气密度（空气=1）：7.85^[5]

6.饱和蒸气压（kPa）：0.007（85℃）^[6]

7.燃烧热（kJ/mol）：-3430.5^[7]

8.临界压力（MPa）：3.04^[8]

9.辛醇/水分配系数：1.60^[9]

10.闪点（℃）：爆炸^[10]

11.引燃温度（℃）：295^[11]

12.溶解性：不溶于水，溶于乙醇、乙醚、苯、芳烃、丙酮。^[12]

风险类别：

1.1D

海关代码：

2904204000

危险类别码：

R2

安全说明：

S35-S45-S61-S36/37-S26

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。
:

危险标志：

E,T,N,Xn,F,B

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XU0175000

CHEMICAL NAME :

Toluene, 2,4,6-trinitro-

CAS REGISTRY NUMBER :

118-96-7

LAST UPDATED :

199712

DATA ITEMS CITED :

54

MOLECULAR FORMULA :

C7-H5-N3-O6

MOLECULAR WEIGHT :

227.15

WISWESSER LINE NOTATION :

WNR B1 CNW ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

28 gm/kg

TOXIC EFFECTS :

Behavioral - hallucinations, distorted perceptions Lungs, Thorax, or Respiration - cyanosis Gastrointestinal - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

795 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

660 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

1850 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis Skin and Appendages - dermatitis, allergic (after systemic exposure)

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

200 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis Skin and Appendages - dermatitis, allergic (after systemic exposure)

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Gastrointestinal - hypermotility, diarrhea Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Gastrointestinal - hypermotility, diarrhea Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7200 mg/kg/6W-I

TOXIC EFFECTS :

Liver - other changes Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Related to Chronic Data - changes in testicular weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

11375 mg/kg/13W-C

TOXIC EFFECTS :

Behavioral - food intake (animal) Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3 gm/kg/30D-I

TOXIC EFFECTS :

Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase Biochemical - Metabolism (Intermediary) - lipids including transport

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

11 mg/kg/13W-C

TOXIC EFFECTS :

Liver - changes in liver weight Endocrine - changes in spleen weight Blood - changes in spleen

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

182 mg/kg/13W-C

TOXIC EFFECTS :

Liver - changes in liver weight Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

1456 mg/kg/26W-I

TOXIC EFFECTS :

Liver - changes in liver weight Blood - normocytic anemia Blood - changes in spleen

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

5376 mg/kg

SEX/DURATION :

male 28 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct

MUTATION DATA

TYPE OF TEST :

Mutation in mammalian somatic cells

TEST SYSTEM :

Rodent - mouse Lymphocyte

REFERENCE :

CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 20,103,1983 *** REVIEWS *** ACGIH TLV-TWA 0.1 mg/m3 (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: 65,449,1996 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: 65,449,1996 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: 65,449,1996 TOXICOLOGY REVIEW NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD778-725 TOXICOLOGY REVIEW CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 1(1),93,1971 TOXICOLOGY REVIEW PAREAQ Pharmacological Reviews. (Williams & Wilkins, 428 E. Preston St., Baltimore, MD 21202) V.1- 1949- Volume(issue)/page/year: 4,1,1952 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.2 ppm (0.5 mg/m3) (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: 3,270,1971 OSHA PEL (Gen Indu):8H TWA 1.50 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 1.50 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 1.50 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 1.50 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-ARAB Republic of Egypt:TWA 0.5 mg/m3 JAN 1993 OEL-AUSTRALIA:TWA 0.5 mg/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.5 mg/m3;Skin JAN 1993 OEL-DENMARK:STEL 0.5 mg/m3;Skin JAN 1993 OEL-FINLAND:TWA 0.5 mg/m3;STEL 3 mg/m3;Skin JAN 1993 OEL-FRANCE:TWA 0.5 mg/m3;Skin JAN 1993 OEL-GERMANY:TWA 0.01 ppm (0.1 mg/m3);Skin;Carcinogen JAN 1993 OEL-HUNGARY:TWA 0.3 mg/m3;STEL 0.5 mg/m3;Skin JAN 1993 OEL-THE NETHERLANDS:TWA 0.5 mg/m3;Skin JAN 1993 OEL-THE PHILIPPINES:TWA 1.5 mg/m3;Skin JAN 1993 OEL-RUSSIA:TWA 0.1 mg/m3;STEL 0.5 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 0.01 ppm (0.1 mg/m3);STEL 0.02 ppm;Skin JAN 1993 OEL-TURKEY:TWA 1.5 mg/m3;Skin JAN 1993 OEL-UNITED KINGDOM:TWA 0.5 mg/m3;STEL 0.5 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 2,4,6-TRINITROTOLUENE-air:10H TWA 0.5 mg/m3 (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 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 74550 No. of Facilities: 10 (estimated) No. of Industries: 2 No. of Occupations: 1 No. of Employees: 31 (estimated)

毒理学数据：

1.急性毒性^[13]  LD50：795mg/kg（大鼠经口）；660mg/kg（小鼠经口）

2.刺激性^[14]   家兔经皮：500mg（24h），轻度刺激。

3.亚急性与慢性毒性^[15]  可引起中毒性肝病，中毒性白内障。

4.致突变性^[16]  微生物致突变：鼠伤寒沙门菌10μg/皿。哺乳动物细胞突变：小鼠淋巴细胞40mg/L。

5.致癌性^[17]  IARC致癌性评论：G3，对人及动物致癌性证据不足。

6.其他^[18]  大鼠经口最低中毒剂量（TDLo）：5376mg/kg（28d，雄性），引起睾丸、附睾和输精管毒性。

LDLo：28000mg/kg（人经口）

生态数据：

1.生态毒性^[19]  LC50：0.46~2.58mg/L（96h）（黑头呆鱼）；2.7mg/L（96h）（蓝鳃太阳鱼，静态）；11.7mg/L（48h）（水蚤，静态）

2.生物降解性  暂无资料

3.非生物降解性  暂无资料

中国海关编码：2904204000

概述：

2904204000 三硝基甲苯(TNT)。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最低关税:5.5%。普通关税:40.0%

申报要素：

品名, 成分含量, 用途

监管条件：

A.入境货物通关单B.出境货物通关单

检验检疫：

M.进口商品检验N.出口商品检验

摘要/Summary：

2904204000 1-methyl-2,4,5-trinitrobenzene。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%

分子结构数据

1、摩尔折射率：50.71

2、摩尔体积（cm³/mol）：141.2

3、等张比容（90.2K）：411.3

4、表面张力（dyne/cm）：71.9

5、介电常数：无可用的

6、极化率（10^-24cm³）：20.10

7、单一同位素质量：227.017835 Da

8、标称质量：227 Da

9、平均质量：227.1311 Da

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:0

5.互变异构体数量:无

6.拓扑分子极性表面积138

7.重原子数量:16

8.表面电荷:0

9.复杂度:292

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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  6-三硝基甲苯红外图谱(IR1)