2431-96-1

• 常用中文名：N,N-二乙基苯乙酰胺
• 常用英文名：N,N-diethyl-2-phenylacetamide
• CAS号：2431-96-1
• 分子式：C₁₂H₁₇NO
• 分子量：191.26900
• 发布时间：2018-08-25 14:21:18
• 更新时间：2024-01-03 11:22:32

名称

• 中文名: N,N-二乙基苯乙酰胺
• 英文名: N,N-Diethyl-2-phenylacetamide
• 中文别名: N,N-二乙基-2-苯乙酰胺
• 英文别名: N,N-diethylphenylacetic amide; EINECS 219-400-3; PhCH2CONEt2; N,N-diethyl-2-phenyl-acetamide; Phenyl-N,N-diethylacetamide; MFCD00192031; N,N-Diethylbenzeneacetamide; N,N-Diethylphenylacetamide; Phenyl-essigsaeure-diaethylamid

物化性质

• 密度: 0.992g/cm3
• 沸点: 169ºC (18 torr)
• 熔点: 84-86 °C
• 分子式: C₁₂H₁₇NO
• 分子量: 191.26900
• 闪点: 134.3ºC
• 精确质量: 191.13100
• PSA: 20.31000
• LogP: 2.09750
• 蒸汽压: 0.000691mmHg at 25°C
• 折射率: n20/D 1.522(lit.)
• 储存条件:

  密闭，避光，通风干燥处保存

• 分子结构:

  1、 摩尔折射率：58.08

  2、 摩尔体积（m³/mol）：192.6

  3、 等张比容（90.2K）：473.7

  4、 表面张力（dyne/cm）：36.5

  5、 介电常数（F/m）：无可用

  6、 偶极距（D）：无可用

  7、 极化率（10 -24cm ³）：23.02

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.1

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积20.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:169

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL 25ºC）：1.004

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC，18mmHg）：169-171

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（°，n20/D）：1.522

  8. 闪点（ºC）：＞110

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值（25℃）：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性(mg/mL, 25 ºC )：水：未确定

毒性和生态

毒理学数据: 1、急性毒性：大鼠经口LD50：825mg /kg；大鼠吸入LC50：1375 mg/m3/4H ；大鼠皮肤接触 LD50 ：1749mg /kg；小鼠经口LD50：900mg /kg； 小鼠皮肤接触 LD50 ：1600mg /kg；兔子经口LD50：635mg /kg；兔子皮肤接触LD50：3505mg /kg；豚鼠皮肤接触LD50：7100mg /kg； 2、其他多剂量毒性：大鼠吸入TCLo：1100mg/m3/6H/2W-I；大鼠皮肤接触TDLo：10500 mg/kg/21D-I； 生态学数据: 若无政府许可，勿将材料排入周围环境 CHEMICAL IDENTIFICATION RTECS NUMBER : AB7410000 CHEMICAL NAME : Acetamide, N,N-diethyl-2-phenyl- CAS REGISTRY NUMBER : 2431-96-1 BEILSTEIN REFERENCE NO. : 1867641 LAST UPDATED : 199612 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C12-H17-N-O MOLECULAR WEIGHT : 191.30 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 : 825 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 31,755,1993 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1375 mg/m3/4H TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Blood - other changes REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 67,85,1991 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1749 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IJSIDW Indian Journal of Pharmaceutical Sciences. (Kalina, Santa Cruz (East), Bombay 400 029, India) V.40(2)- 1978- Volume(issue)/page/year: 49,220,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 900 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Gastrointestinal - other changes REFERENCE : IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 31,755,1993 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1600 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 58,81,1989 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 635 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Gastrointestinal - other changes REFERENCE : IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 31,755,1993 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 3505 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 45,67,1989 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 7100 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 58,81,1989 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1100 mg/m3/6H/2W-I TOXIC EFFECTS : Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 67,85,1991 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 10500 mg/kg/21D-I TOXIC EFFECTS : Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 58,81,1989

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36
• 海关编码: 2924299090

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海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%