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5-氯-2-氟苯甲醛 | 96515-79-6

5-氯-2-氟苯甲醛
5-Chloro-2-fluorobenzaldehyde
96515-79-6
C7H4ClFO
158.557464599609
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-氯-2-氟苯甲醛结构式
253660736
5-氯-2-氟苯甲醛价格
名称和标识符
MDL MFCD03094518
InChIKey WDTUCEMLUHTMCB-UHFFFAOYSA-N
Inchi 1S/C7H4ClFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
SMILES O=CC1C(F)=CC=C(Cl)C=1
别名信息
- 中文别名 -
  • 5-氯-2-氟苯甲醛
  • 2-氟-5-氯苯甲醛
  • 3-氯-6-氟苯甲醛
  • 5-Chloro-2-fluorobenzaldehyde 5-氯-2-氟苯甲醛
  • 5-氯-2-苯甲醛
- 英文别名 -
  • 5-Chloro-2-fluorobenzaldehyde
  • 3-CHLORO-6-FLUORO BENZALDEHYDE
  • 2-fluoro-5-chlorobenzaldehyde
  • 5-Chloro-2-fluoro-benzaldehyde
  • 3-Chloro-6-fluorobenzaldehyde
  • 5-Chloro-2-fluorobenzaldehyde (ACI)
  • 2-Fluoro-5-chlorobenzaldehyde
  • 5-chloro-2-fluorobenzaldehyde
物化性质
实验特性
LogP 2.29160
PSA 17.07000
折射率 1.5410
沸点 210.092°C at 760 mmHg
熔点 35.0 to 39.0 deg-C
闪点 华氏:203 °F
摄氏:95 °C
颜色与性状 无色或灰黄色液体
溶解性 不溶于水
敏感性 Air Sensitive
密度 1.352
计算特性
精确分子量 157.99300
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 1
同位素质量 157.993
重原子数量 10
复杂度 129
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) 2.1
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 None
合成路线

合成路线:1 步

反应条件:
参考文献:
Preparation of 2-phenylaminobenzamides and analogs as MEK inhibitors for the treatment of chronic pain
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
Preparation of oxoheterocycle aminoguanidine hydrazone derivatives as sodium-proton exchange inhibitors
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of 2-(4-bromo or 4-iodo phenylamino)benzoic acid derivatives as MEK inhibitors
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of 2,4-dioxothiazolidines and 4-oxo-2-thioxothiazolidines having telomerase inhibitory activity and methods of their use
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
Lewis acid-catalyzed redox-neutral amination of 2-(3-pyrroline-1-yl)benzaldehydes via intramolecular [1,5]-hydride shift/isomerization reaction
Jiang, Chun-Huan; Lei, Xiantao; Zhen, Le; Du, Hong-Jin; Wen, Xiaoan; et al, Beilstein Journal of Organic Chemistry, 2014, 10, 2892-2896

合成路线:1 步

反应条件:
参考文献:
Preparation of 2-(4-bromo or 4-iodo phenylamino)benzoic acid derivatives as MEK inhibitors for use as antiviral agents
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of 2-phenylaminobenzoic acids and its amides as MEK inhibitors for treating or preventing septic shock
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of antidiabetic spirochroman compounds
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of (guanidinoimino)tetrahydroquinolines as sodium-hydrogen exchange inhibitors
, European Patent Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Synthesis and antihypertensive activity of 1,4-dihydropyridine derivatives with a 4-(disubstituted phenyl) ring and an aminoalkyl ester group: highly potent and long-lasting calcium antagonists
Kanno, Hideo; Yamaguchi, Hisao; Okamiya, Yoshiaki; Sunakawa, Kiyotaka; Takeshita, Toru; et al, Chemical & Pharmaceutical Bulletin, 1992, 40(8), 2049-54

合成路线:1 步

反应条件:
参考文献:
Preparation of 2-(4-bromo or 4-iodo phenylamino)benzoic acid derivatives as MEK inhibitors for the treatment of asthma
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of disubstituted 1,5-naphthyridines as ALK5 inhibitors and therapeutic uses thereof
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of carbostyril derivatives as antimicrobial agents
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of spiroisoxazoline-based peptidomimetics as inhibitors of serine proteases, particularly HCV NS3-NS4A protease, for treating HCV infections
, United States, , ,
相关文献
  • 1. From benzofuro-, benzothieno- and 10-methylindolo-[2,3-b]-fused benzothiopyrano[4,3,2-de]quinolines to the corresponding benzothiopyrano[4,3,2-de]1,8-naphthyridines: synthesis and properties of these hexacyclic heteroaromatic compounds
    Nicolas Mast,William Erb,Lionel Nauton,Pascale Moreau,Olivier Mongin,Thierry Roisnel,Margaux Macaigne,Thomas Robert,Stéphane Bach,Laurent Picot,Valérie Thiéry,Jean-Pierre Hurvois,Florence Mongin New J. Chem. 2023 47 258
专业数据库参考
PubChemId 253660736
参考资料
Reaxys RN 5861254
化合物详情(旧版)

SMILES

O=CC1=C(F)C=CC(Cl)=C1

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