2-氯甲基-5-苯基-[1,3,4]恶二唑

• 常用名: 2-氯甲基-5-苯基-[1,3,4]恶二唑
• 英文名: 1,3,4-Oxadiazole,2-(chloromethyl)-5-phenyl
• CAS号: 33575-83-6
• 分子量: 194.61800
• 密度: 1.283g/cm3
• 沸点: 316.9ºC at 760mmHg
• 分子式: C₉H₇ClN₂O
• 熔点: 119-121ºC
• 闪点: 145.5ºC
• 符号: GHS07
• 信号词: Warning

2-氯甲基-5-苯基-[1,3,4]恶二唑名称

• 中文名: 2-氯甲基-5-苯基-1,3,4-噁二唑
• 英文名: 2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
• 中文别名: 5-苯基-2-氯甲基-1,3,4-噁二唑

2-氯甲基-5-苯基-[1,3,4]恶二唑物理化学性质

• 密度: 1.283g/cm3
• 沸点: 316.9ºC at 760mmHg
• 熔点: 119-121ºC
• 分子式: C₉H₇ClN₂O
• 分子量: 194.61800
• 闪点: 145.5ºC
• 精确质量: 194.02500
• PSA: 38.92000
• LogP: 2.47540
• InChIKey: AGLNTFQAHIRTFA-UHFFFAOYSA-N
• SMILES: ClCc1nnc(-c2ccccc2)o1
• 折射率: 1.56
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:0

  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:38.9

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:162

  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

2-氯甲基-5-苯基-[1,3,4]恶二唑安全信息

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 危害码 (欧洲): Xn
• 危险品运输编码: UN 2811 6.1 / PGIII
• 海关编码: 2934999090

2-氯甲基-5-苯基-[1,3,4]恶二唑海关

• 海关编码: 2934999090
• 中文概述: 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 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: 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-氯甲基-5-苯基-[1,3,4]恶二唑靶点实验

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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

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：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：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

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

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2-氯甲基-5-苯基-[1,3,4]恶二唑英文别名

• 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole