5-(2,4-二氯苯基)-2-糠酸

• 常用名: 5-(2,4-二氯苯基)-2-糠酸
• 英文名: 5-(2 4-DICHLOROPHENYL)-2-FUROIC ACID 9&
• CAS号: 134448-46-7
• 分子量: 257.07000
• 密度: 1.477g/cm3
• 沸点: 400.9ºC at 760 mmHg
• 分子式: C₁₁H₆Cl₂O₃
• 熔点: 220-224ºC (dec.)(lit.)
• 闪点: 196.3ºC

5-(2,4-二氯苯基)-2-糠酸名称

• 中文名: 5-(2,4-二氯苯基)-2-糠酸
• 英文名: 5-(2,4-dichlorophenyl)furan-2-carboxylic acid

5-(2,4-二氯苯基)-2-糠酸物理化学性质

• 密度: 1.477g/cm3
• 沸点: 400.9ºC at 760 mmHg
• 熔点: 220-224ºC (dec.)(lit.)
• 分子式: C₁₁H₆Cl₂O₃
• 分子量: 257.07000
• 闪点: 196.3ºC
• 精确质量: 255.96900
• PSA: 50.44000
• LogP: 3.95160
• InChIKey: LYDQZIXGFBEQKT-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1
• 蒸汽压: 3.79E-07mmHg at 25°C
• 折射率: 1.604
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：59.86

  2、 摩尔体积（m³/mol）：173.9

  3、 等张比容（90.2K）：468.4

  4、 表面张力（dyne/cm）：52.6

  5、 极化率（10^-24cm³）：23.73

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.8

  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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积50.4

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:272

  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

5-(2,4-二氯苯基)-2-糠酸安全信息

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3

5-(2,4-二氯苯基)-2-糠酸靶点实验

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实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

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实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

实验名称：Absorbance-based primary biochemical high throughput screening assay to identify acti... 来源：The Scripps Research Institute Molecular Screening Center 靶标：caspase-3 preproprotein [Homo sapiens] External Id：PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN

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5-(2,4-二氯苯基)-2-糠酸英文别名

• 5-(2,4-dichlorophenyl)-2-furancarboxylic acid
• 5-(2,4-Dichlorophenyl)-2-furoic acid
• 5-(2,4-dichlorophenyl)furoic acid
• MFCD01860297