1,2-丙二醇二硝酸酯
- 中文名称：
- 1,2-丙二醇二硝酸酯
- 中文别名：
- 1,2-丙二醇二硝酸酯;
丙二醇二硝酸酯;
1,2-二硝酸丙二醇酯
- 英文名称：
- 1,2-Propanediol,1,2-dinitrate
- 英文别名：
- 1-nitrooxypropan-2-yl nitrate;
1,2-bis-nitrooxy-propane;
Propane-1,2-diyl dinitrate;
1,2-dinitrooxy-propane;
1,2-Propylene glycol dinitrate;
propane-1,2-diol dinitrate;
nitric acid propanediyl ester;
Propylene glycol 1,2-dinitrate;
propylene glycol dinitrate;
Salpetersaeure-propandiylester;
PGDN;
Isopropylene nitrate;
Propylene nitrate;
1,2-propyl dinitrate;
Propylene dinitrate;
1,2-Propanediol,dinitrate
- CAS No.：
- 6423-43-4
- 分 子 式：
-
C3H6N2O6
- 分 子 量：
- 166.09
- 精确分子量：
- 166.02300
- PSA：
- 110.10000
- EINECS：
- 229-180-0
- InChI：
- The Key: PSXCGTLGGVDWFU-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
1,2-丙二醇二硝酸酯 物化性质
- 密度：
- 1.423g/cm3
- 沸点：
- 206.7ºC at 760 mmHg
- 闪点：
- 98.5ºC
- 折射率：
- 1.451
1,2-丙二醇二硝酸酯 安全信息
- 风险类别：
- 1.1A
- 海关代码：
- 2920909090
1,2-丙二醇二硝酸酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TY6300000
- CHEMICAL NAME :
- 1,2-Propanediol, dinitrate
- CAS REGISTRY NUMBER :
- 6423-43-4
- BEILSTEIN REFERENCE NO. :
- 1709968
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 32
- MOLECULAR FORMULA :
- C3-H6-N2-O6
- MOLECULAR WEIGHT :
- 166.11
- WISWESSER LINE NOTATION :
- WNOY1&1ONW
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,128,1972
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 200 ppb/6H
- TOXIC EFFECTS :
- Behavioral - headache
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
30,377,1974
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 1500 ppb/5M
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - conjunctive irritation
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
30,377,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression
Blood - methemoglobinemia-carboxyhemoglobin
Vascular - BP lowering not characterized in autonomic section
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 479 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression
Blood - methemoglobinemia-carboxyhemoglobin
Vascular - BP lowering not characterized in autonomic section
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 463 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - other changes
Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
15,175,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1047 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression
Blood - methemoglobinemia-carboxyhemoglobin
Vascular - BP lowering not characterized in autonomic section
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1208 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - other changes
Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
15,175,1969
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 410 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis
Behavioral - ataxia
Gastrointestinal - nausea or vomiting
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,128,1972
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - other changes
Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
15,175,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 402 mg/kg
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 236 mg/m3/24H/90D-C
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
acute tubular necrosis)
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,128,1972
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 236 mg/m3/24H/90D-C
- TOXIC EFFECTS :
- Blood - pigmented or nucleated red blood cells
Liver - other changes
Kidney, Ureter, Bladder - other changes
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,128,1972
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 236 mg/m3/24H/90D-C
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - phosphatases
Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,128,1972
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 73 gm/kg/3W-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 236 mg/m3/24H/90D-C
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,128,1972
*** REVIEWS ***
ACGIH TLV-TWA 0.34 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
*** OCCUPATIONAL EXPOSURE LIMITS ***
OEL-AUSTRALIA:TWA 0.05 ppm (0.3 mg/m3);Skin JAN 1993
OEL-BELGIUM:TWA 0.5 ppm (0.35 mg/m3);Skin JAN 1993
OEL-DENMARK:TWA 0.02 ppm (0.2 mg/m3);Skin JAN 1993
OEL-FINLAND:TWA 0.02 ppm (0.2 mg/m3);STEL 0.06 ppm;Skin JAN 1993
OEL-FRANCE:TWA 0.05 ppm (0.3 mg/m3);Skin JAN 1993
OEL-GERMANY:TWA 0.05 ppm (0.3 mg/m3);Skin JAN 1993
OEL-THE NETHERLANDS:TWA 0.05 ppm (0.3 mg/m3);Skin JAN 1993
OEL-SWEDEN:TWA 0.1 ppm (0.7 mg/m3);STEL 0.3 ppm (2 mg/m3);Skin JAN 1993
OEL-SWITZERLAND:TWA 0.05 ppm (0.35 mg/m3);Skin JAN 1993
OEL-UNITED KINGDOM:TWA 0.2 ppm (1.2 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 PROPYLENE GLYCOL DINITRATE-air:10H TWA 0.05 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
1,2-丙二醇二硝酸酯 海关数据
中国海关编码：2920909090
- 概述：
- 2920909090 其他无机酸酯（不包括卤化氢的酯）（包括其盐及它们的卤化，磺化，硝化和亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
1,2-丙二醇二硝酸酯 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）:1.2
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:3
5.互变异构体数量:无
6.拓扑分子极性表面积:110
7.重原子数量:11
8.表面电荷:0
9.复杂度:147
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:1
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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