制备方法

于20℃以下,甘油与混酸酯化,经洗涤得到纯品。通常产品为乙醇的10%或1%溶液。

合成制备方法

于20℃以下，甘油与混酸酯化，经洗涤得到纯品。通常产品为乙醇的10%或1%溶液。

用途简介

用于制造军事和商业用炸药,作为防治心绞痛的药物。

用途

用于制造军事和商业用炸药，作为防治心绞痛的药物。^[27]

包装等级：

I

风险类别：

1.1A

危险类别码：

R11

安全说明：

S7-S16-S61-S45-S36/37-S35-S33

安全标志：

S7:保持容器紧密封闭。
S16:远离火源。
S33:采取防护措施防止静电发生。
S35:本物质残余以及它的容器必须用安全方式处置。
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）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

E,T+,N

CHEMICAL IDENTIFICATION

RTECS NUMBER :

QX2100000

CHEMICAL NAME :

Nitroglycerin

CAS REGISTRY NUMBER :

55-63-0

BEILSTEIN REFERENCE NO. :

1802063

LAST UPDATED :

199806

DATA ITEMS CITED :

70

MOLECULAR FORMULA :

C3-H5-N3-O9

MOLECULAR WEIGHT :

227.11

WISWESSER LINE NOTATION :

WNO1YONW1ONW

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 :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

8 ug/kg

TOXIC EFFECTS :

Behavioral - headache Cardiac - pulse rate Gastrointestinal - nausea or vomiting

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

8 ug/kg

TOXIC EFFECTS :

Cardiac - pulse rate Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

51429 ug/kg/2D-I

TOXIC EFFECTS :

Brain and Coverings - encephalitis Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Sense Organs and Special Senses (Eye) - corneal damage

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

105 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>29200 ug/kg

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 :

102 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

94 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

23200 ug/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

115 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>35200 ug/kg

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 :

104 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

110 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

10600 ug/kg

TOXIC EFFECTS :

Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

19 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - hemorrhage Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

150 mg/kg

TOXIC EFFECTS :

Liver - other changes Kidney, Ureter, Bladder - other changes in urine composition Blood - normocytic anemia

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1607 mg/kg

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 :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

>280 mg/kg

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 - rabbit

DOSE/DURATION :

189 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

400 mg/kg

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 :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

45 mg/kg

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 :

Unreported

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

230 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 :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1500 mg/kg/30D-I

TOXIC EFFECTS :

Blood - pigmented or nucleated red blood cells Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

25480 mg/kg/26W-I

TOXIC EFFECTS :

Liver - other changes Blood - pigmented or nucleated red blood cells Blood - changes in platelet count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

825 mg/kg/33D-C

TOXIC EFFECTS :

Kidney, Ureter, Bladder - other changes in urine composition Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1575 mg/kg/13W-I

TOXIC EFFECTS :

Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - changes in potassium Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

300 mg/kg/30D-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - respiratory stimulation Endocrine - changes in thymus weight Blood - changes in platelet count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

4900 mg/kg/5W-I

TOXIC EFFECTS :

Endocrine - changes in thymus weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in leukocyte (WBC) count

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

36500 mg/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

438 gm/kg/2Y-C

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Reproductive - Tumorigenic effects - testicular tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

DOSE :

3640 mg/kg

SEX/DURATION :

female 17-21 day(s) after conception lactating female 21 day(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

11 mg/kg

SEX/DURATION :

female 7-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

220 mg/kg

SEX/DURATION :

female 7-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

2580 mg/kg

SEX/DURATION :

male 91 day(s) pre-mating female 2 week(s) pre-mating - 7 day(s) after conception

TOXIC EFFECTS :

Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

520 mg/kg

SEX/DURATION :

female 17 day(s) after conception - 20 day(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TYPE OF TEST :

Mutation in microorganisms

TEST SYSTEM :

Bacteria - Salmonella typhimurium

REFERENCE :

CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 19,77,1977 *** REVIEWS *** ACGIH TLV-TWA 0.46 mg/m3 (0.05 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 TOXICOLOGY REVIEW NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD778-725 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Gen Indu):CL 0.2 ppm (2 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):CL 0.2 ppm (2 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):CL 0.2 ppm (2 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):CL 0.2 ppm (2 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 0.02 ppm (0.2 mg/m3);Skin JAN 1993 OEL-AUSTRALIA:TWA 0.05 ppm (0.5 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 0.05 ppm (0.46 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 0.02 ppm (0.2 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 0.1 ppm (0.9 mg/m3);STEL 0.3 ppm (3 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 0.15 ppm (1.5 mg/m3);Skin JAN 1993 OEL-GERMANY:TWA 0.05 ppm (0.5 mg/m3);Skin JAN 1993 OEL-HUNGARY:STEL 0.5 mg/m3;Skin JAN 1993 OEL-JAPAN:STEL 0.05 ppm (0.45 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 0.05 ppm (0.5 mg/m3);Skin JAN 1993 OEL-THE PHILIPPINES:TWA 0.2 ppm (2 mg/m3);Skin JAN 1993 OEL-POLAND:TWA 5 mg/m3 JAN 1993 OEL-RUSSIA:STEL 0.5 ppm JAN 1993 OEL-SWEDEN:TWA 0.1 ppm (0.9 mg/m3);STEL 0.3 ppm (3 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 0.05 ppm (0.5 mg/m3);STEL 0.1 ppm;Skin JAN 1993 OEL-THAILAND:TWA 0.2 ppm (2 mg/m3) JAN 1993 OEL-TURKEY:TWA 0.2 ppm (2 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 0.2 ppm (2 mg/m3);STEL 0.2 ppm;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 NITROGLYCERIN-air:STEL 0.1 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 : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 50890 No. of Facilities: 413 (estimated) No. of Industries: 4 No. of Occupations: 10 No. of Employees: 4331 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 50890 No. of Facilities: 384 (estimated) No. of Industries: 3 No. of Occupations: 9 No. of Employees: 38471 (estimated) No. of Female Employees: 29144 (estimated)

毒理学数据：

1.急性毒性^[12]  LD50：105mg/kg（大鼠经口）；115mg/kg（小鼠经口）

2.刺激性^[13]  家兔经皮：500mg（24h），轻度刺激。

3.致突变性^[14]  微生物致突变：鼠伤寒沙门菌2500nmol/皿。微粒体诱变：鼠伤寒沙门菌50μg/皿。

4.致畸性^[15]  大鼠孕后7~17d腹腔内给予最低中毒剂量（TDLo）致肌肉骨骼系统发育畸形。

5.致癌性^[16]  大鼠经口最低中毒剂量（TDLo）：36500mg/kg（2a，连续），疑致肿瘤剂，致肝肿瘤。

6.其他^[17]  大鼠腹腔最低中毒剂量（TDLo）：11mg/kg（孕7~17d），致植入前的死亡率升高，致死胎。

生态数据：

1.生态毒性^[18]

LC50：1.28mg/L（96h）（蓝鳃太阳鱼，静态）

EC50：26mg/L（48h）（水蚤）

IC50：6.5mg/L（72h）（藻类）

2.生物降解性^[19]

好氧生物降解（h）：48~168

厌氧生物降解（h）：192~672

3.非生物降解性^[20]

水相光解半衰期（h）：928~2784

光解最大光吸收（nm）：323

水中光氧化半衰期（h）：2711~4695

空气中光氧化半衰期（h）：1.76~17.6

一级水解半衰期（h）：81600

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:9

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积165

7.重原子数量:15

8.表面电荷:0

9.复杂度:219

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