3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
- 中文别名：1,4-二甲基-3-氰基-6-羟基-2-吡啶酮
- 中文释义：1,4-二甲基-3-氰基-6-羟基-2-吡啶酮;1,2-二氢-6-羟基-1,4-二甲基-2-氧代-3-吡啶腈
- 英文别名：1,4-Dimethyl-3-cyano-6-hydroxypyrid-2-one;
1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile;
1-methyl-3-cyano-4-methyl-6-hydroxy-2-pyridone;
2,5-Dimethyliodobenzene;
1,4-dimethyl-2-keto-3-cyano-6-hydroxy-1,2-dihydropyridine;
2-iodo-4-xylene;
N-methyl-3-cyano-4-methyl-6-hydroxypyrid-2-one;
1,4-dimethyl-3-cyano-6-hydroxy-2-pyridone;
1-methyl-2-keto-3-cyano-4-methyl-6-hydroxy-1,2-dihydropyridine;
1-Iodo-2,5-dimethylbenzene;
1,4-dimethyl-2-iodobenzene;
Benzene,2-iodo-1,4-dimethyl;
2-Iodo-p-xylene;
2,5-dimethyl-1-iodobenzene;
3-iodo-1,4-dimethylbenzene;
p-Xylene,2-iodo;
2,5-dimethylphenyl iodide;
1,4-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyridine-3-carbonitrile
- CAS No.：27074-03-9
- 分子式：
C8H8N2O2
- 分子量：164.16
- 精确分子量：164.05900
- PSA：66.02000
- InChI：The Key: RTTKVNNZRGYCTK-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.32g/cm3
- 沸点：
- 304.5ºC at 760mmHg
- 闪点：
- 137.9ºC
- 折射率：
- 1.588
- 蒸汽压：
- 0mmHg at 25°C
安全信息
- 密度：
- 1.32g/cm3
- 沸点：
- 304.5ºC at 760mmHg
- 闪点：
- 137.9ºC
- 折射率：
- 1.588
- 蒸汽压：
- 0mmHg at 25°C
毒理性
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
海关数据
中国海关编码：2926909090
- 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
- 摘要/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%
分子结构与计算化学数据
计算化学数据
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
