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2,6-二氯苯甲醛 | 83-38-5

2,6-二氯苯甲醛
2,6-Dichlorobenzaldehyde
83-38-5
C7H4Cl2O
175.012060165405
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2,6-二氯苯甲醛结构式
6737
2,6-二氯苯甲醛价格
名称和标识符
MDL MFCD00003307
InChIKey DMIYKWPEFRFTPY-UHFFFAOYSA-N
Inchi 1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
SMILES O=CC1C(Cl)=CC=CC=1Cl
BRN 386477
别名信息
- 中文别名 -
  • 2,6-二氯苯甲醛
  • 2,6-二氯苯醛
  • 2,6-Dichlorobenzaldehyde 2,6-二氯苯甲醛
  • 2,6-二氯苯
  • 2.6-二氯苯甲醛
- 英文别名 -
  • 2,6-Dichlorobenzaldehyde
  • o,o'-dichlorobenzaldehyde
  • 2.6-Dichlorobenzaldehyde
  • 2,5-DICHLORO-2'-PYRROLIDINOMETHYL BENZOPHENONE
  • 2,6-Cl2-benzaldehyde
  • 2,6-Dichloobenzaldehyde
  • 2,6-Dichlor-Benzaldehyd
  • 2,6-Dichlorobenzalde
  • 2,6-dichloro-benzaldehyd
  • 2,6-dichlorobenzyl aldehyde
  • 2,6-dichlorophenylaldehyde
  • 2,6-dicholorobenzaldehyde
  • 6-Dichlorobenzaldehyde
  • FT-0610593
  • Q-200208
  • Z57773430
  • (2,6-dichlorophenyl)methanone
  • HMS3039H11
  • NSC-7193
  • DTXCID304970
  • STK199280
  • CS-W007684
  • NCGC00258296-01
  • UNII-781ADM5611
  • NCGC00091746-01
  • AKOS000119432
  • PS-6006
  • NCGC00091746-02
  • 2,6-dichloro -benzaldehyde
  • Q27266626
  • 2,6dichloro-benzaldehyde
  • F3098-5169
  • D0331
  • 781ADM5611
  • DTXSID5024970
  • Benzaldehyde,6-dichloro-
  • SCHEMBL96214
  • MFCD00003307
  • D70634
  • 2,6-Dichlorobenzaldehyde, purum, >=99.0% (T)
  • O,O'-DICHLOROBENZALDEHYDE
  • InChI=1/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4
  • NCGC00091746-03
  • SMR001370881
  • LS-1824
  • CAS-83-38-5
  • 2,6-dichloro benzaldehyde
  • EN300-18410
  • EINECS 201-472-2
  • CCRIS 6014
  • 2,6-dichloro-benzaldehyde
  • 2,6-dichlorbenzaldehyd
  • 83-38-5
  • NSC 7193
  • NSC7193
  • CHEMBL1442731
  • 2,6-DICHLOROBENZALDEHYDE
  • Tox21_200742
  • BBL023680
  • AM20060735
  • A840567
  • Benzaldehyde, 2,6-dichloro-
  • MLS002415691
  • 2,6-Dichlorobenzaldehyde, 99%
  • 2,6-dichlorobenzaldehyde
  • 2,6-Dichlorobenzaldehyde (ACI)
  • o,o′-Dichlorobenzaldehyde
  • NS00038251
物化性质
实验特性
LogP 2.80590
PSA 17.07000
折射率 1.5756 (estimate)
水溶性 <0.1 g/100 mL at 23 ºC
沸点 231°C/8mmHg(lit.)
熔点 68.0 to 72.0 deg-C
闪点 华氏:212 °F
摄氏:100 °C
溶解度 <1g/l insoluble
颜色与性状 工业级为白色或微黄色结晶粉末。
稳定性 Stable. Incompatible with strong oxidizing agents, strong bases. Air, light and moisture sensitive.
溶解性 溶于热乙醇和热乙醚,不溶于水。
敏感性 Air Sensitive
密度 1.3456 (rough estimate)
计算特性
精确分子量 173.96400
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 1
同位素质量 173.964
重原子数量 10
复杂度 117
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.6
互变异构体数量
表面电荷 0
拓扑分子极性表面积 17.1A^2
国际标准相关数据
EINECS 201-472-2
海关数据
海关编码 29130000
海关数据

中国海关编码:

2913000090

概述:

2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
A facile method for the conversion of oximes and tosylhydrazones to carbonyl compounds with Cr-MCM-41 zeolite under microwave irradiation
Nagarapu, Lingaiah; et al, Synthetic Communications, 2002, 32(14), 2195-2202

合成路线:1 步

反应条件:
参考文献:
Facile and rapid regeneration of carbonyl compounds from their N,N-dimethylhydrazones by employing transition metal complexes
Kamal, Ahmed; et al, Synlett, 2000, (10), 1482-1484

合成路线:1 步

反应条件:
参考文献:
Synthesis, stability, and reactions of 2,6-dichlorophenyllithium
Kress, Thomas H.; et al, Synthesis, 1988, (10), 803-5

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参考文献:
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Cha, Jin Soon; et al, Bulletin of the Korean Chemical Society, 2002, 23(12), 1697-1698

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Ha, Ji Hyun; et al, Bulletin of the Korean Chemical Society, 2005, 27(1), 121-122

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参考文献:
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参考文献:
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参考文献:
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反应条件:
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反应条件:
参考文献:
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反应条件:
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相关文献
专业数据库参考
PubChemId 6737
参考资料
Reaxys RN 386477
Beilstein 7,237
化合物详情(旧版)

2,6-二氯苯甲醛物理化学性质

性状:工业级为白色或微黄色结晶粉末。
熔点 68-71°C
沸点 165°C
闪点(ºC):大于300
水溶性 <0.1 g/100 mL at 23°C,溶于热乙醇和热乙醚,不溶于水。

2,6-二氯苯甲醛产品用途

用作杀菌剂及用于制造除草剂;
杀菌剂及用于制造除草剂2,6-二氯苯腈等;
2,6-二氯苯腈用于合成染料、农药和医药的中间体。主要用于生产酸性媒介漂兰B。也可用于医药工业制备双氯苯唑青霉素钠。 

2,6-二氯苯甲醛生产方法

2,6-二氯苯甲醛的合成以对硝基甲苯为起始原料,先得到 2,6-二氯甲苯,然后可以由2,6-二氯甲苯直接氧化制得 2,6-二氯苯甲醛,也可以经氯化制得 2,6-二氯-二氯苄,再合成2,6-二氯苯甲醛。

将 2,6-二氯甲苯与高锰酸钾在浓硫酸中混合,一步反应即可得到 2,6-二氯苯甲醛,但存在酸液套用及“三废”处理问题,而且要耗用大量昂贵的锰盐。

2,6-二氯甲苯于 120~140℃在自由基生成剂(如偶氮二异丁腈、过氧化苯甲酰、叔丁基氢过氧化物等) 的存在下,进行氯化,即得到 2,6-二氯-二氯苄。2,6-二氯-二氯苄可在不同条件下进行水解,得到 2,6-二氯苯甲醛。此法虽然增加一步侧链氯代反应,但反应较易进行,且收率高。

此外,也可将 2,6-二氯-二氯苄在催化剂和芳香族磺酸介质中加热,制得 2,6-二氯苯甲醛。

2,6-二氯甲苯的合成详见“拟除虫菊酯中间体”。

2,6-二氯苯甲醛储运特性

密封于阴凉避光处保存。 

2,6-二氯苯甲醛计算化学数据

1.疏水参数计算参考值(XlogP):2.6

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积17.1

7.重原子数量:10

8.表面电荷:0

9.复杂度:117

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

产品用途
用于合成染料,也用作杀菌剂及用于制造除草剂2,6-二氯苯腈
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