Basic information
- CAS
134-04-3- Standard SMILES
Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1.[Cl-]- InChIKey
YPVZJXMTXCOTJN-UHFFFAOYSA-N- Molecular formula
- C15H11ClO5
- Average molar mass
- 306.7 g/mol
- Monoisotopic mass
- 306.0295011
Overview
Pelargonidin chloride is an anthocyanidin chloride that has pelargonidin as the cationic counterpart. It has a role as a plant metabolite and a phytoestrogen. It contains a pelargonidin.
Names & identifiers
- Preferred name
- Pelargonidin Chloride
- IUPAC
- 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol chloride
- English name
- PELARGONIDIN CHLORIDE
- Molecular formula
- C15H11ClO5
- Molecular weight
- 306.7
Names & synonyms
Pelargonidin chloride134-04-33,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloridePelargonidol chloride3,4',5,7-Tetrahydroxyflavylium chlorideCHEBI:285102-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chlorideDFL6200791DTXSID001020859RefChem:170703DTXCID601505255PELARGONIDIN (CHLORIDE)
Show more names
PELARGONIDINPelagonidinTong Hai Luobu redPELARGONIDIN CHLORIDPELARGONIDIN CHLORIDE hplcParacetamol Impurity 20-d3
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloridePelargonidinchloridepelargonidine chlorideUNII-DFL6200791EINECS 205-127-7SCHEMBL205913,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
Database identifiers
- CAS
134-04-3- PubChem CID
- 67249
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 349.85 °C · >349.85°C
- Boiling point
- 421.26 °C · 421.26°C (rough estimate)
- Density
- 1.3164 · 1.3164 (rough estimate)
- refractive index
- 1.4429 · 1.4429 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Red to brown solid.
- color
- Very Dark Brown
- Merck
- 13 · 13,7142
- BRN
- 3922945 · 3922945
- InChI
- InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H
- InChIKey
- YPVZJXMTXCOTJN-UHFFFAOYSA-N
- SMILES
- C12C(O)=CC(O)=CC1=[O+]C(C1=CC=C(O)C=C1)=C(O)C=2.[Cl-]
- CAS DataBase Reference
- 134 · 134-04-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6200791 · DFL6200791
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H317
- Precautionary statements
- P261-P264-P272-P280-P302+P352-P305+P351+P338-P333+P313-P321-P337+P313-P363-P501
Chemistry & industry
Applications
UsesThe aglucone of Pelargonin. Pelargonidin, an anthocyanidin, was tested for its antidiabetic potential.
UsesPelargonidin chloride can be involved in pharmacological studies investigating the use of flavonoids as inhibitors of CD381Antioxidant and anthocyanidin; founded in various natural sources evaluated for inhibitory effects on colon and liver cancer cells ; used as hyroperoxide and hydrogen peroxide scavenging substance3; and used to study relationship between structure, antioxidant capacity and redox potentials.
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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