2,2'-Bi(3-hydroxy-1,4-naphthoquinone)
Basic information
- CAS
33440-64-1- Standard SMILES
O=C1C(=O)c2ccccc2C(O)=C1C1=C(O)c2ccccc2C(=O)C1=O- InChIKey
ISTBADQWZSTTOA-UHFFFAOYSA-N- Molecular formula
- C20H10O6
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.04773803
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,2'-Bi(3-hydroxy-1,4-naphthoquinone)
- IUPAC
- 4-hydroxy-3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)naphthalene-1,2-dione
- English name
- BI-LAWSONE
- Molecular formula
- C20H10O6
- Molecular weight
- 346.29
Names & synonyms
33440-64-12,2'-Bi(3-hydroxy-1,4-naphthoquinone)H2bhnq cpdRefChem:440207626-577-4BI-LAWSONEbilawsone2,2'-Bis(3-hydroxy-1,4-naphthoquinone)4-hydroxy-3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)naphthalene-1,2-dione3,3'-Dihydroxy-[2,2'-binaphthalene]-1,1',4,4'-tetraone2-hydroxy-3-(3-hydroxy-1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione3,3'-Bilawsone
Show more names
LAWSONE DIMERLABOTEST-BB LT004522732,2A'-Bis-(3-hydroxy-1,4-naphthoquinone)2,2'-BI(3-HYDROXY-1,4-NAPHTHOQUINONE), 9 8%
2-hydroxy-3-(3-hydroxy-1,4-dioxo(2-naphthyl))naphthalene-1,4-dioneorb1991696SCHEMBL3768549CHEMBL2227811SCHEMBL29630331SCHEMBL30884954NSC762528SBB057703
Database identifiers
- CAS
33440-64-1- PubChem CID
- 736158
- ChEMBL
CHEMBL2227811- EC Number
- 626-577-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 720
Physicochemical properties
- Melting point
- 250 °C · 250 °C (dec.)(lit.)
- form
- solid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2914698090 · 2914698090
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2914698090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Suppliers
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Related reactions
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Compound notes
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