27074-03-9

• 常用中文名：6-羟基-1,4-二甲基-2-氧代-1,2-二氢吡啶-3-腈
• 常用英文名：6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
• CAS号：27074-03-9
• 分子式：C₈H₈N₂O₂
• 分子量：164.161
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 氰基吡啶
• 发布时间：2018-10-21 14:29:04
• 更新时间：2024-01-02 12:17:22

名称

• 中文名: 1,4-二甲基-3-氰基-6-羟基-2-吡啶酮
• 英文名: 1,4-Dimethyl-3-cyano-6-hydroxypyrid-2-one
• 中文别名: 1,2-二氢-6-羟基-1,4-二甲基-2-氧代-3-吡啶腈
• 英文别名: 6-hydroxy-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile; 2-Iodo-p-xylene; 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile; 1-Iodo-2,5-dimethylbenzene; Benzene,2-iodo-1,4-dimethyl; MFCD00044065; 1,4-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyridine-3-carbonitrile; 2,5-Dimethyliodobenzene; N-methyl-3-cyano-4-methyl-6-hydroxypyrid-2-one; EINECS 248-209-8; 2-iodo-4-xylene; 1,4-dimethyl-3-cyano-6-hydroxy-2-pyridone; 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-; 3-iodo-1,4-dimethylbenzene; 1,4-dimethyl-2-iodobenzene; 2,5-dimethylphenyl iodide; 1-methyl-3-cyano-4-methyl-6-hydroxy-2-pyridone; p-Xylene,2-iodo; 6-Hydroxy-1,4-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile; 1-methyl-2-keto-3-cyano-4-methyl-6-hydroxy-1,2-dihydropyridine; 1,4-dimethyl-2-keto-3-cyano-6-hydroxy-1,2-dihydropyridine; 2,5-dimethyl-1-iodobenzene

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 304.5±42.0 °C at 760 mmHg
• 分子式: C₈H₈N₂O₂
• 分子量: 164.161
• 闪点: 137.9±27.9 °C
• 精确质量: 164.058578
• PSA: 66.02000
• LogP: -0.19
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.588
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.1

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:4

  6.拓扑分子极性表面积:64.3

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:343

  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 : QT3046000 CHEMICAL NAME : Nicotinonitrile, 1,2-dihydro-1,4-dimethyl-6-hydroxy-2-oxo- CAS REGISTRY NUMBER : 27074-03-9 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C8-H8-N2-O2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,23,1953

安全

• 海关编码: 2926909090

合成路线

141-97-9 105-56-6 74-89-5 ~89% 27074-03-9

文献：Balalaie, Saeed; Kowsari, Elahe; Hashtroudi, Mehri S. Monatshefte fur Chemie, 2003 , vol. 134, # 3 p. 453 - 456

141-97-9 74-89-5 105-34-0 ~90% 27074-03-9

文献：Balalaie, Saeed; Kowsari, Elahe; Hashtroudi, Mehri S. Monatshefte fur Chemie, 2003 , vol. 134, # 3 p. 453 - 456

105-45-3 105-56-6 74-89-5 ~92% 27074-03-9

文献：Balalaie, Saeed; Kowsari, Elahe; Hashtroudi, Mehri S. Monatshefte fur Chemie, 2003 , vol. 134, # 3 p. 453 - 456

105-45-3 74-89-5 105-34-0 ~92% 27074-03-9

文献：Balalaie, Saeed; Kowsari, Elahe; Hashtroudi, Mehri S. Monatshefte fur Chemie, 2003 , vol. 134, # 3 p. 453 - 456

6330-25-2 ~% 27074-03-9 105-45-3

文献：Cassella Farbwerke Mainkur Aktiengesellschaft Patent: US3957749 A1, 1976 ;

上下游产品

上游产品  6
141-97-9 105-56-6 74-89-5 105-34-0
105-45-3 6330-25-2
下游产品  3
85843-03-4 329348-61-0 72570-56-0

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%