5-(3-硝基苯)-2-糠酸

• 常用名: 5-(3-硝基苯)-2-糠酸
• 英文名: 5-(3-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID
• CAS号: 13130-13-7
• 分子量: 233.17700
• 密度: 1.44g/cm3
• 沸点: 450.2ºC at 760 mmHg
• 分子式: C₁₁H₇NO₅
• 熔点: 252-260 °C(lit.)
• 闪点: 226.1ºC
• 符号: GHS07
• 信号词: Warning

5-(3-硝基苯)-2-糠酸名称

• 中文名: 5-(3-硝基苯)-2-糠酸
• 英文名: 5-(3-nitrophenyl)furan-2-carboxylic acid
• 中文别名: 5-(3-硝基苯)-2-呋喃甲酸 | 5-(3-硝基苯基)-2-糠酸 | 5-(2-硝基苯基)-2-呋喃羧酸

5-(3-硝基苯)-2-糠酸物理化学性质

• 密度: 1.44g/cm3
• 沸点: 450.2ºC at 760 mmHg
• 熔点: 252-260 °C(lit.)
• 分子式: C₁₁H₇NO₅
• 分子量: 233.17700
• 闪点: 226.1ºC
• 精确质量: 233.03200
• PSA: 96.26000
• LogP: 3.07620
• InChIKey: XWQLGLUTQIKSAJ-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
• 蒸汽压: 6.83E-09mmHg at 25°C
• 折射率: 1.616
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.3

  2.氢键供体数量:1

  3.氢键受体数量:5

  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96.3

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:314

  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-(3-硝基苯)-2-糠酸安全信息

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2932190090

5-(3-硝基苯)-2-糠酸海关

• 海关编码: 2932190090
• 中文概述: 2932190090 其他结构上有非稠合呋喃环化合物. 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:20.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

5-(3-硝基苯)-2-糠酸靶点实验

查看更多实验

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

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：Inhibition of Rickettsia prowazekii str. Madrid E N-terminal His-tagged methionine am... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3879300

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

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：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_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

共119条，当前第1页，共12页

1

2

3

4

5

5-(3-硝基苯)-2-糠酸英文别名

• 5-(3-Nitrophenyl)-2-furoic acid
• 5-(3-Nitro-phenyl)-furan-2-carboxylic acid
• 5-<3-Nitro-phenyl>-furan-2-carbonsaeure
• MFCD00778533
• 5-(3-nitrophenyl)-furoic acid
• 5-(3-Nitrophenyl)-2-furancarboxylic acid