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Basic Information
CAS No.: 528-53-0
Name: Delphinidin chloride
Article Data: 14
Molecular Structure:
Molecular Structure of 528-53-0 (Delphinidin chloride)
Formula: C15H11 O7 . Cl
Molecular Weight: 338.701
Synonyms: 1-Benzopyrylium,3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (9CI); Flavylium,3,3',4',5,5',7-hexahydroxy-, chloride (8CI);3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride;3,3',4',5,5',7-Hexahydroxyflavylium chloride; Delfinidol chloride; Delphinidin;Delphinidin chloride; Delphinidine; Delphinidol; Ephdine; IdB 1056
EINECS: 208-437-0
Density: g/cm3
Melting Point: >349.85°C
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility:
Hazard Symbols: UN NO.
Transport Information: OTH
PSA: 134.52000
LogP: -0.38150
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    528-53-0

    Delphinidin chloride

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    528-53-0

    DELPHINIDIN CHLORIDE

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    DELPHINIDIN CHLORIDE

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  • Delphinidin chloride

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    Delphinidin chloride

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Chemistry

Molecular Formula: C15H11ClO7
Molar mass: 338.6966 g/mol
EINECS: 208-437-0
Storage temp: -20 °C
Product categories of Delphinidin chloride (CAS NO.528-53-0): Anthocyanins;Flavonoids
Structure of Delphinidin chloride (CAS NO.528-53-0):
                       
H-Bond Donor: 6
H-Bond Acceptor: 7 
IUPAC Name of Delphinidin chloride (CAS NO.528-53-0): 2-(3,4,5-Trihydroxyphenyl)chromenylium-3,5,7-triol chloride
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]
InChI: InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H
InChIKey: FFNDMZIBVDSQFI-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-rat LD50:2350 mg/kg

     CHTPBA    Chimica Therapeutica. 2 (1967),33.
2.    

ivn-rat LD50:240 mg/kg

     CHTPBA    Chimica Therapeutica. 2 (1967),33.
3.    

ipr-mus LD50:4110 mg/kg

     CHTPBA    Chimica Therapeutica. 2 (1967),33.
4.    

ivn-mus LD50:840 mg/kg

     CHTPBA    Chimica Therapeutica. 2 (1967),33.

Safety Profile

Poison by intravenous route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Delphinidin chloride ,its cas register number is 528-53-0. It also can be called Delphinidin ; Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride ; 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride and 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride .