6,7-Dimethoxycoumarin 6,7-二甲氧基香豆素

CAS 120-08-1 MFCD00006871

化学结构图

120-08-1
SMILES: COc1cc2ccc(=O)oc2cc1OC

化学属性

Mol. FormulaC11H10O4
Mol. Weight206
Melting Point143-145
Density1.248
Appearance 6,7-二甲氧基香豆素(120-08-1)为白色或黄白色针状结晶。熔点144℃。易溶于氯仿、丙酮,溶于乙醇溶液和氢氧化钠水溶液,不溶于石油醚和水。无臭,味苦。

别名和识别编码

Chemical Name6,7-Dimethoxycoumarin
MDL NumberMFCD00006871
CAS Number120-08-1
Synonym DIMETHYLESCULETIN 6,7-dimethoxy-benzopyran-2-on DIMETHOXYCOUMARIN aesculetindimethylether escoparone 6,7-Dimethoxycoumarin 6,7-DIMETHOXY-CHROMEN-2-ONE 6,7-dimethoxybenzopyran-2-one 6,7-DIMETHYLESCULETIN 6,7-二甲氧基香豆素 SCOPARONE scoparon 二甲氧香豆素 香豆素二甲醚 6,7-Dimethylesculetin 6,7-Dimethoxybenzopyran-2-one Scoparone AKOS 236-43 6,7-Dimethoxy-2H-chromen-2-one; 6,7-Dimethoxy-2-benzopyrone 蒿属香豆素 6,7-二甲基七叶亭 6,7-dimethoxy-coumari 七叶内酯二甲醚 Escoparone 蒿属香豆精 6,7-Dimethoxy-2H-1-benzopyran-2-one {Chemicalbook} 6,7-dimethoxy-2-benzopyrone
PubChem Substance ID24855271
EC Number204-369-0
Chemical Name Translation6,7-二甲氧基香豆素
Merck Number13,8479
Wiswesser Line NotationT66 BOVJ HO1 IO1
Beilstein Registry Number0169572
LabNetwork Molecule IDLN00239303
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分类

  • {SNA} Bioactive Small Molecules, Biochemicals and Reagents, Building Blocks, Cell Biology, Chemical Synthesis, Citrus aurantium (Seville orange), Coumarins, DIG-DY, Fluorescent Labels, Fluorescent Probes, Labels, Particles and Stains,
  • {SNA} Biochemicals and Reagents, Building Blocks, Chemical Synthesis, Citrus aurantium (Seville orange), Coumarins, Fluorescent Labels, Fluorescent Probes, Labels, Particles and Stains, Heterocyclic Building Blocks, Other Fluorescent Labels, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学, 营养研究
  • {SNA} Building Blocks, Chemical Synthesis, Citrus aurantium (Seville orang

产品应用

  • 用作有机合成中间体。

相关文献及参考

  • Merck: 14,8404 Beilstein: 18,99
  • Merck: 14,8404

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSGN6550000
Signal word
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
Safety Statements
  • S27/28
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
Hazard Class6.1(b)
UN Number
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 292 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   3,550,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 280 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   3,550,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 190 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DRFUD4 Drugs of the Future.  (J.R. Prous, S.A., Apartado de Correos 540,
   08080 Barcelona, Spain) V.1-    1975/76-  Volume(issue)/page/year:
   3,550,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Behavioral - alteration of classical conditioning
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   IJMRAQ Indian Journal of Medical Research.  (Indian Council of Medical
   Research, Ansari Nagar, New Delhi 110 029, India)  V.1-    1913-
   Volume(issue)/page/year: 60,763,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 725 mg/kg
SEX/DURATION            : female 15-22 day(s) after conception
                          lactating female 21 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 17,740,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1180 mg/kg
SEX/DURATION            : male 8 week(s) pre-mating
                          female 2 week(s) pre-mating  - 3 week(s) post-birth
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
   Reproductive - Effects on Newborn - delayed effects
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 17,740,1979

其他信息

  • 上游原料:硫酸二甲酯 --> 6,7-二羟基香豆素
  • 用途一:用作有机合成中间体。该品也是一种药物,有平喘、祛痰、镇咳的作用。
  • 方法一:由6,7-二羟基香豆素(C9H6O4,[305-01-1]与硫酸二甲酯反应而得。
  • 用途二:用作有机合成中间体。
  • MOL 文件:120-08-1.mol
  • Sigma Aldrich:120-08-1(sigmaaldrich)

系列性分类


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