硝酸甘油

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

硝酸甘油 基本信息

中文名称:
硝酸甘油 
中文别名:
硝化甘油;
硝酸甘油;
三硝酸甘油酯 
英文名称:
nitroglycerin
英文别名:
nitroglycerin;
Trifluoroammonia;
NF3;
glycerine trinitrate;
Stickstofftrifluorid;
trinitroglycerol;
nitrogen fluoride;
Perfluoroammonia;
trifluoroamine;
Nitroglycerin;
nitrogliycerine;
Trifluorammonia;
N,N,N-Trifluoroamine;
glycerol trinitrate;
trifluoramine;
nitroglycerol;
glyceryl trinitrate 
CAS No.:
55-63-0
分 子 式:
C3H5N3O9
分 子 量:
227.08600
精确分子量:
227.00300
PSA:
165.15000
MDL:
MFCD00171649
EINECS:
200-240-8
InChI:
The Key: SNIOPGDIGTZGOP-UHFFFAOYSA-N
风险术语:
11-51/53-33-26/27/28-3
分子结构式:
SDS:
查看

硝酸甘油 制备方法及用途

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]

硝酸甘油 物化性质

外观与性状:
无色至黄色粘性液体或淡黄色晶体
密度:
1.671 g/cm3
熔点:
144 - 146ºC
沸点:
295.8ºC at 760 mmHg
闪点:
12°C
折射率:
1.4777 (7.7ºC)
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、易燃物,食品原料分开存放
稳定性相关:

1.稳定性[21]  稳定

2.禁配物[22]  强氧化剂、活性金属粉末、酸类

3.避免接触的条件[23]  暴冷暴热、撞击、摩擦、受热

4.聚合危害[24]  不聚合

5.分解产物[25]  氮氧化物

其它信息:

1.性状:白色或淡黄色黏稠液体,低温易冻结。[1]

2.熔点(℃):13[2]

3.沸点(℃):218(爆炸)[3]

4.相对密度(水=1):1.6[4]

5.相对蒸气密度(空气=1):7.8[5]

6.饱和蒸气压(kPa):0.01(60℃)[6]

7.燃烧热(kJ/mol):-1540.0[7]

8.临界压力(MPa):3[8]

9.辛醇/水分配系数:1.62[9]

10.引燃温度(℃):270[10]

11.溶解性:不溶于水,混溶于丙酮、乙醚、乙醇、硝基苯、吡啶、乙酸乙酯等。[11]

硝酸甘油 安全信息

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

硝酸甘油 毒理性

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

硝酸甘油 MSDS

第一部分:化学品名称

硝酸甘油 分子结构与计算化学数据

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

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