5-[2-(三氟甲基)苯基]-2-糠酸结构式
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常用名 | 5-[2-(三氟甲基)苯基]-2-糠酸 | 英文名 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC |
|---|---|---|---|---|
| CAS号 | 92973-24-5 | 分子量 | 256.17700 | |
| 密度 | 1.395g/cm3 | 沸点 | 372.9ºC at 760 mmHg | |
| 分子式 | C12H7F3O3 | 熔点 | 163-167ºC(lit.) | |
| MSDS | 中文版 美版 | 闪点 | 179.3ºC | |
| 符号 |
GHS06 |
信号词 | Danger |
| 中文名 | 5-[2-(三氟甲基)苯基]-2-糠酸 |
|---|---|
| 英文名 | 5-[2-(trifluoromethyl)phenyl]furan-2-carboxylic acid |
| 中文别名 | 5-[2-(三氟甲基)苯基]-2-甲酸 |
| 英文别名 | 更多 |
| 密度 | 1.395g/cm3 |
|---|---|
| 沸点 | 372.9ºC at 760 mmHg |
| 熔点 | 163-167ºC(lit.) |
| 分子式 | C12H7F3O3 |
| 分子量 | 256.17700 |
| 闪点 | 179.3ºC |
| 精确质量 | 256.03500 |
| PSA | 50.44000 |
| LogP | 3.66360 |
| InChIKey | IJPNRBZMRINMMR-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(-c2ccccc2C(F)(F)F)o1 |
| 折射率 | 1.511 |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内,储存在阴凉,干燥的地方 |
| 稳定性 | 常温常压下稳定 避免接触强氧化剂,强 酸 |
| 分子结构 | 五、分子性质数据: 1、 摩尔折射率:55.05 2、 摩尔体积(m3/mol):183.5 3、 等张比容(90.2K):453.9 4、 表面张力(dyne/cm):37.4 5、 介电常数:无可用的 6、 偶极距(10 -24cm 3):无可用的 7、 极化率:21.82 |
| 更多 | 1. 性状:固体 2. 密度(g/mL 25ºC):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC常压):163-167 5. 沸点(ºC,20mmHg):未确定 6. 沸点(ºC,5.2kPa):未确定 7. 折射率(n20/D):未确定 8. 闪点(ºC,):未确定 9. 比旋光度(º):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(kPa,25ºC):未确定 12. 饱和蒸气压(kPa,60ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值(25℃):未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性(mg/mL) :未确定 |
| 符号 |
GHS06 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H301-H315-H317-H319-H335 |
| 警示性声明 | P261-P280-P301 + P310-P305 + P351 + P338 |
| 个人防护装备 | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| 危害码 (欧洲) | T: Toxic; |
| 风险声明 (欧洲) | 25-36/37/38-43 |
| 安全声明 (欧洲) | 26-36/37 |
| 危险品运输编码 | UN 2811 6.1/PG 3 |
| 海关编码 | 2932190090 |
| 5-[2-(三氟甲基)苯基]-2-糠酸上游产品 3 | |
|---|---|
| 5-[2-(三氟甲基)苯基]-2-糠酸下游产品 1 | |
| 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% |
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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: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
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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
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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
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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
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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
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实验名称:Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1315
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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.
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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
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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
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| MFCD02602847 |
| FC3 |
| 2evc |