111-22-8

• 常用中文名：2,2'-[ethane-1,2-diylbis(oxy)]bisethyl dinitrate
• 常用英文名：2,2'-[ethane-1,2-diylbis(oxy)]bisethyl dinitrate
• CAS号：111-22-8
• 分子式：C₆H₁₂N₂O₈
• 分子量：240.16800
• 发布时间：2017-11-10 14:48:10
• 更新时间：2024-01-13 15:42:25

名称

• 英文名: 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
• 英文别名: O,O'-Dinitro-triaethylenglykol; TEGDN; 2,2'-(Ethane-1,2-diylbis(oxy))bisethyl dinitrate; EINECS 203-847-6; Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-,dinitrate; 1,2-bis-(2-nitryloxy-ethoxy)-ethane; 2,2'-(1,2-Ethanediylbis(oxy))bisethanol,dinitrate; Triaethylenglykol-dinitrat; 1,2-bis-(2-nitrooxy-ethoxy)-ethane; triethyleneglycol-dinitrate; 1,2-Bis-(2-nitryloxy-aethoxy)-aethan

物化性质

• 密度: 1.344g/cm3
• 沸点: 327.2ºC at 760mmHg
• 分子式: C₆H₁₂N₂O₈
• 分子量: 240.16800
• 闪点: 146.9ºC
• 精确质量: 240.05900
• PSA: 128.56000
• LogP: 0.48260
• 蒸汽压: 0.000392mmHg at 25°C
• 折射率: 1.459
• 分子结构:

  1、 摩尔折射率：48.87

  2、 摩尔体积（cm³/mol）：178.5

  3、 等张比容（90.2K）：466.6

  4、 表面张力（dyne/cm）：46.6

  5、 极化率（10-24cm3）：19.37

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  2.氢键供体数量:0

  3.氢键受体数量:8

  4.可旋转化学键数量:9

  5.互变异构体数量:无

  6.拓扑分子极性表面积129

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:178

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YE5500000 CHEMICAL NAME : Triethylene glycol, dinitrate CAS REGISTRY NUMBER : 111-22-8 BEILSTEIN REFERENCE NO. : 1714096 LAST UPDATED : 199709 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C6-H12-N2-O8 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1 gm/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 : 796 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - irritability Lungs, Thorax, or Respiration - respiratory depression 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 : 2520 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 : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1866 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) REFERENCE : ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,606,1993 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 945 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 : LD - Lethal dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - muscle contraction or spasticity Behavioral - irritability REFERENCE : ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,604,1993 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value 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 : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 106 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

安全

• 危险类别: 1.1A
• 海关编码: 2920909090

合成路线

112-27-6 ~61% 111-22-8

文献：ALLIANT TECHSYSTEMS INC. Patent: US2012/130115 A1, 2012 ; Location in patent: Page/Page column 4 ;

75-21-8 ~7% 628-96-6 111-22-8 693-21-0 详细

文献：Slavtscheva, Ju.; Minkov, D.; Kolev, N. Journal fuer Praktische Chemie (Leipzig), 1983 , vol. 325, # 2 p. 188 - 196

75-21-8 ~1% 16051-48-2 628-96-6 111-22-8 详细

文献：Slavtscheva, Ju.; Minkov, D.; Kolev, N. Journal fuer Praktische Chemie (Leipzig), 1983 , vol. 325, # 2 p. 188 - 196

上下游产品

上游产品  2
112-27-6 75-21-8
下游产品  0

海关

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%