Cas no 849061-97-8 (Quercetin Hydrate)

Quercetin Hydrate structure
Quercetin Hydrate structure
Product Name:Quercetin Hydrate
CAS No:849061-97-8
MF:C15H12O8
MW:320.250985145569
MDL:MFCD03847906
CID:716669
PubChem ID:87574315
Update Time:2024-10-26

Quercetin Hydrate Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:?)
    • Quercetin
    • QUERCETIN HYDRATE
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one hydrate
    • 3,3',4',5,7-Pentahydroxyflavone Hydrate
    • Quercetin monohydrate
    • Quercetin hydrate, 95%
    • C15H10O7.H2O
    • Quercetinhydrate
    • SMR000674606
    • 2(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one monohydrate
    • Quercetin hydrate
    • Quercetine(Sophoretin)/
    • Quercetin hydrate, >=95%
    • MLS002153851
    • MLS001074343
    • REGID_for_CID_747934
    • OKXFBEYCJRMINR-UHFFFAOYSA-N
    • HMS3370H12
    • HMS2234O11
    • REGID_for_CID_16212154
    • 3,3;,4;,5,7-Pentahydroxyfla
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one hydrate (1:?) (ACI)
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (9CI)
    • CHEMBL1173475
    • 849061-97-8
    • D95379
    • MFCD03847906
    • AKOS002318957
    • BS-23834
    • DB-221805
    • Quercetin (hydrate)
    • 1001001-36-0
    • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one xhydrate
    • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
    • SCHEMBL1658852
    • Quercetin, Pharmaceutical Secondary Standard; Certified Reference Material
    • Quercetin Hydrate
    • MDL: MFCD03847906
    • Inchi: 1S/C15H10O7.H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,16-19,21H;1H2
    • InChI Key: OKXFBEYCJRMINR-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=CC(=CC=2O)O)OC(C2C=C(O)C(O)=CC=2)=C1O.O

Computed Properties

  • Exact Mass: 320.05300
  • Monoisotopic Mass: 320.05321734g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 488
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 128

Experimental Properties

  • Melting Point: >300°C
  • Boiling Point: 714.6°C at 760 mmHg
  • Flash Point: 386°C
  • Solubility: DMSO: soluble200mg/mL
  • PSA: 140.59000
  • LogP: 1.92370
  • Merck: 8034

Quercetin Hydrate Security Information

  • Symbol: GHS06
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H301
  • Warning Statement: P264-P270-P301+P310+P330-P405-P501
  • Hazardous Material transportation number:UN 2811 6.1 / PGIII
  • WGK Germany:3
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • RTECS:LK8750000
  • Hazardous Material Identification: T
  • HazardClass:6.1
  • PackingGroup:III
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Quercetin Hydrate Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Quercetin Hydrate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Cerium trichloride Solvents: Methanol ,  Water ;  rt; 6 h, rt
Reference
Theranostic Quercetin Nanoparticle for Treatment of Hepatic Fibrosis
Zhang, Qiang; Xu, Dan; Guo, Qiuyan; Shan, Wenjun; Yang, Jun; et al, Bioconjugate Chemistry, 2019, 30(11), 2939-2946

Quercetin Hydrate Raw materials

Quercetin Hydrate Preparation Products

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