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6423-43-4

6423-43-4结构式
6423-43-4结构式

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中文名 1,2-丙二醇二硝酸酯
英文名 1-nitrooxypropan-2-yl nitrate
中文别名 丙二醇二硝酸酯
1,2-二硝酸丙二醇酯
英文别名 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
密度 1.423g/cm3
沸点 206.7ºC at 760 mmHg
分子式 C3H6N2O6
分子量 166.09000
闪点 98.5ºC
精确质量 166.02300
PSA 110.10000
LogP 0.83790
折射率 1.451
计算化学

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

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

危险品运输编码 0473
危险类别 1.1A
海关编码 2920909090
海关编码 2920909090
中文概述 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
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%