Bianthrone

HCID 67948CAS 434-85-5

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Basic information

Standard SMILES: O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc32)c2ccccc21
InChIKey: MGRRGKWPEVFJSH-UHFFFAOYSA-N
Molecular formula: C28H16O2
Average molar mass: 384.4 g/mol
Monoisotopic mass: 384.11502975

Overview

bianthrone has been reported in Senna longiracemosa, Psorospermum febrifugum, and Aspergillus alliaceus with data available.

Names & identifiers

Preferred name: Bianthrone
IUPAC: 10-(10-oxoanthracen-9-ylidene)anthracen-9-one
English name: Bianthrone
Molecular formula: C28H16O2
Molecular weight: 384.43

Names & synonyms

Bianthrone434-85-5Dehydrodianthrone9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)-10-(10-oxoanthracen-9-ylidene)anthracen-9-oneNSC-8977856R67P666MNSC-627656delta(10,10')-bianthroneDTXSID6059994(delta9,9'(10H,10'H)-Bianthracene)-10,10'-dione10-(10-OXO-9(10H)-ANTHRACENYLIDENE)-9(10H)-ANTHRACENONE

Show more names

BianthronBianthvoneDIANTHRONEBianthrone,98%BIANTHRONE(RG)Bianthrone >dianthraquinone10,10'-bianthrone10,10'-Dianthrone

RefChem:568034DTXCID9040263207-106-810H,10'H-[9,9'-Bianthracenylidene]-10,10'-dionebisanthronebainthrone10-(10-oxo-9-anthrylidene)anthracen-9-one.DELTA.10,10'-Bianthrone

Database identifiers

CAS: 434-85-5
PubChem CID: 67948
DTXSID: DTXSID6059994
UNII: 56R67P666M
Nikkaji: J5.734G

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 30
Formal charge: 0
Complexity: 630

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 300 °C · 300 °C
Boiling point: 451.11 °C · 451.11°C (rough estimate)
Density: 1.2122 · 1.2122 (rough estimate)
refractive index: 1.448 · 1.4480 (estimate)
storage temp.: 2 · 2-8°C
form: powder to crystal
color: Yellow to Brown to Dark green
Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
CAS DataBase Reference: 434 · 434-85-5(CAS DataBase Reference)
FDA UNII: 56 R67P666M · 56R67P666M
EPA Substance Registry System: 9 · 9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)- (434-85-5)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Safety Statements: 24 · 24/25
TSCA: TSCA listed
HS Code: 29143900 · 29143900

Safety & regulation

Safety data

tsca: TSCA listed
hs_code: 29143900
Signal word: Danger
Symbol(GHS): GHS05,GHS07
safety_code: 24/25
Hazard statements: H302-H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)-: INACTIVE

Applications

UsesBianthrone (Dianthrone) is a natural product that can be isolated from Rheum officinale Baill. Bianthrone is a potential toxic marker of Polygonum multiflorum Thunb[1].

Upstream & downstream products

Upstream raw materials

9(10H)-Anthracenone, 10-diazo-9,9'-Bi[anthracen-10-ol]10-BROMO-9(10H)-ANTHRACENONE 2,4,6-Trimethoxybenzaldehyde BIANTHRONYL Anthraquinone Mesitaldehyde ISOPROPYLMAGNESIUM CHLORIDE Anthrone

Downstream products

2-HYDROXYANTHRAQUINONE Anthracene

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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