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1-萘甲酰氯 | 879-18-5

1-萘甲酰氯
1-Naphthoyl chloride
879-18-5
C11H7ClO
190.625682115555
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-萘甲酰氯结构式
70146
1-萘甲酰氯价格
名称和标识符
MDL MFCD00004002
InChIKey NSNPSJGHTQIXDO-UHFFFAOYSA-N
Inchi 1S/C11H7ClO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
SMILES O=C(C1C2C(=CC=CC=2)C=CC=1)Cl
BRN 775785
别名信息
- 中文别名 -
  • 1-萘甲酰氯
  • 1-Naphthoyl Chloride 1-萘甲酰氯
  • 1-關倡抜驟ー豌ッ
  • 1-氯代萘
  • α-萘甲酰氯
- 英文别名 -
  • 1-Naphthoyl chloride
  • 1-NAPHTHALENECARBONYL CHLORIDE
  • naphthalene-1-carbonyl chloride
  • 1-Naphthoylchloride
  • 1-Naphthoic acid chloride
  • 1-(Chlorocarbonyl)naphthalene
  • alpha-Naphthoyl chloride
  • .alpha.-Naphthoyl chloride
  • naphthalenecarbonyl chloride
  • NSNPSJGHTQIXDO-UHFFFAOYSA-N
  • naphthoylchloride
  • naphthoyl chloride
  • l-naphthoylchloride
  • 1-Napthoylchloride
  • 1-napthoyl chloride
  • 1-naphtoyl chloride
  • l-naphthoyl chloride
  • 1-naphthaloylchlorid
  • 1-Naphthalenecarbonyl Chloride
  • 1-Naphthalenecarbonyl chloride
  • 1-Naphthoyl chloride (6CI, 7CI, 8CI)
  • 1-Naphthalenecarboxylic acid chloride
  • 1-Naphthaloyl chloride
  • 1-Naphthylcarbonyl chloride
  • NSC 9841
  • α-Naphthoyl chloride
物化性质
实验特性
LogP 3.21880
PSA 17.07000
折射率 n20/D 1.652(lit.)
水溶性 Reacts with water.
沸点 190 °C/35 mmHg(lit.)
熔点 16-19 °C (lit.)
闪点 华氏:>230 °F
摄氏:>110 °C
颜色与性状 无色透明液体
稳定性 Stable. Incompatible with water, moisture, strong oxidizing agents, bases.
溶解性 未确定
敏感性 Moisture Sensitive
密度 1.265 g/mL at 25 °C(lit.)
计算特性
精确分子量 190.01900
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 190.019
重原子数量 13
复杂度 202
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) 4.1
互变异构体数量
表面电荷 0
拓扑分子极性表面积 17.1
国际标准相关数据
EINECS 9841
海关数据
海关编码 2916399090
海关数据

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

合成路线

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:1 步

反应条件:
参考文献:
Simple and Practical Conversion of Benzoic Acids to Phenols at Room Temperature
Xiong, Wenzhang; et al, Journal of the American Chemical Society, 2022, 144(34), 15894-15902

合成路线:1 步

反应条件:
参考文献:
Acid chloride synthesis by the palladium-catalyzed chlorocarbonylation of aryl bromides
Quesnel, Jeffrey S.; et al, Chemistry - A European Journal, 2015, 21(26), 9550-9555

合成路线:1 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:1 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:1 步

反应条件:
参考文献:
Functional Group Transposition: A Palladium-Catalyzed Metathesis of Ar-X σ-Bonds and Acid Chloride Synthesis
De La Higuera Macias, Maximiliano; et al, Journal of the American Chemical Society, 2018, 140(32), 10140-10144

合成路线:1 步

反应条件:
参考文献:
Functional Group Transposition: A Palladium-Catalyzed Metathesis of Ar-X σ-Bonds and Acid Chloride Synthesis
De La Higuera Macias, Maximiliano; et al, Journal of the American Chemical Society, 2018, 140(32), 10140-10144

合成路线:1 步

反应条件:
参考文献:
A Palladium-Catalyzed Carbonylation Approach to Acid Chloride Synthesis
Quesnel, Jeffrey S.; et al, Journal of the American Chemical Society, 2013, 135(45), 16841-16844

合成路线:1 步

反应条件:
参考文献:
Direct Construction of Fused/Bridged 3D Rings via Visible-Light Induced Dearomative Cycloaddition of Arenes
Zhen, Guangjin; et al, Advanced Synthesis & Catalysis, 2023, 365(1), 43-52

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022

合成路线:1 步

反应条件:
参考文献:
Chiral Bronsted acid-catalyzed dynamic kinetic resolution of atropisomeric ortho-formyl naphthamides
Gao, Zeng; et al, Chemical Communications (Cambridge, 2020, 56(53), 7265-7268

合成路线:2 步

反应条件:
参考文献:
Metathesis-active ligands enable a catalytic functional group metathesis between aroyl chlorides and aryl iodides
Lee, Yong Ho ; et al, Nature Chemistry, 2018, 10(10), 1016-1022
相关文献
专业数据库参考
PubChemId 70146
参考资料
Reaxys RN 775785
Beilstein 775785
化合物详情(旧版)

SMILES

O=C(Cl)C1C2C(=CC=CC=2)C=CC=1

产品用途
用于有机合成
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