7327-60-8

• 常用中文名：2,2,2-氮川三乙腈
• 常用英文名：2,2',2''-Nitrilotriacetonitrile
• CAS号：7327-60-8
• 分子式：C₆H₆N₄
• 分子量：134.13900
• 发布时间：2018-07-08 10:34:38
• 更新时间：2024-01-10 07:10:25

名称

• 中文名: 2,2,2-氮川三乙腈
• 英文名: 2,2',2''-Nitrilotriacetonitrile
• 中文别名: 2,2',2''-氮川三乙腈
• 英文别名: tri(cyanomethylene)amine; Acetonitrile,2,2,2-nitrilotris; Nitrilotri-acetonitril; nitrilotri-acetonitrile; 2,2',2'-NITRILOTRIACETONITRILE; Tris-cyanmethyl-amin; Nitrilotriessigsaeure-trinitril; NITRILOACETONITRILE; tri(cyanomethyl)amine

物化性质

• 密度: 1.166 g/cm3
• 沸点: 421ºC at 760 mmHg
• 分子式: C₆H₆N₄
• 分子量: 134.13900
• 闪点: 211.7ºC
• 精确质量: 134.05900
• PSA: 74.61000
• 折射率: 1.491
• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.4

  2.氢键供体数量:0

  3.氢键受体数量:4

  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:74.6

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:185

  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 : AM1243500 CHEMICAL NAME : Acetonitrile, 2,2',2''-nitrilotris- CAS REGISTRY NUMBER : 7327-60-8 LAST UPDATED : 199710 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C6-H6-N4 MOLECULAR WEIGHT : 134.16 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570625 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570625 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 440 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes Blood - hemorrhage REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570625 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570625

合成路线

74-90-8 100-97-0 ~22% 7327-60-8

文献：Moutou, G.; Taillades, J.; Benefice-Malouet, S.; Commeyras, A.; Messina, G.; Mansani, R. Journal of Physical Organic Chemistry, 1995 , vol. 8, p. 721 - 730

590-17-0 ~% 7327-60-8

文献：US6743564 B2, ;

1116-43-4 74-90-8 ~% 7327-60-8

文献：Journal of the American Chemical Society, , vol. 48, p. 2794

50-00-0 143-33-9 ~% 7327-60-8

文献：US2205995 , ; DRP/DRBP Org.Chem. DE694780 , ;

50-00-0 74-90-8 540-61-4 ~% 7327-60-8

文献：US2405966 , ;

107-16-4 ~% 7327-60-8

文献：Justus Liebigs Annalen der Chemie, , vol. 278, p. 230

50-00-0 151-50-8 ~% 7327-60-8

文献：Justus Liebigs Annalen der Chemie, , vol. 278, p. 230

74-90-8 628-87-5 ~% 7327-60-8

文献：Journal of Physical Organic Chemistry, , vol. 8, p. 721 - 730

7647-01-0 1116-43-4 74-90-8 ~% 7327-60-8

文献：Journal of the American Chemical Society, , vol. 48, p. 2794

上下游产品

上游产品  10
74-90-8 100-97-0 590-17-0 1116-43-4
50-00-0 143-33-9 540-61-4 107-16-4
151-50-8 628-87-5
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24553-06-8 4862-18-4 139-13-9 142-73-4
75472-28-5 4553-48-4