Basic information
- CAS
577-33-3- Standard SMILES
Oc1ccc2c(O)c3ccccc3cc2c1O- InChIKey
TZIQWQARHPGHIG-UHFFFAOYSA-N- Molecular formula
- C14H10O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.06299418
Overview
Anthrarobin is an anthracenetriol having the three hydroxy substituents at the 1-, 2- and 10-positions. It has a role as an allergen.
Names & identifiers
- Preferred name
- Anthrarobin
- IUPAC
- anthracene-1,2,10-triol
- English name
- ANTHRAROBIN
- Molecular formula
- C14H10O3
- Molecular weight
- 226.23
Names & synonyms
AnthrarobinAnthracene-1,2,10-triol577-33-3DesoxyalizarinLeucoalizarin1,2,10-Trihydroxyanthracene1,2,10-Anthratriol3,4-Dihydroxyanthranol3,4,9-TrihydroxyanthraceneNSC-60015DTXSID20206401E0T985Y674
Show more names
NSC60015NSC 60015ANTHRAROBIN, TECH., 85%
CHEBI:375043,4-dihydroxy-9-anthroneRefChem:113074DTXCID80128892209-410-61,2,10-ANTHRACENETRIOLNSC60015;LeucoalizarinLeukoalizarin
Database identifiers
- CAS
577-33-3- PubChem CID
- 11342
- DTXSID
DTXSID20206401- ChEMBL
CHEMBL144924- ChEBI
CHEBI:37504- UNII
- E0T985Y674
- EC Number
- 209-410-6
- Nikkaji
- J1.626H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 218 °C · 218 °C (dec.)(lit.)
- Boiling point
- 327.84 °C · 327.84°C (rough estimate)
- Density
- 1.2022 · 1.2022 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 9.26 · 9.26±0.30(Predicted)
- Merck
- 13 · 13,693
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 T985Y674 · E0T985Y674
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 39 reports by companies from 2 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
- rtecs
- CB1220000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesAnthrarobin is a substituted polycyclic aromatic hydrocarbon.
Suppliers7 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Additional notes
DefinitionChEBI: An anthracenetriol having the three hydroxy substituents at the 1-, 2- and 10-positions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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