Basic information
- CAS
602-65-3- Standard SMILES
O=C1c2ccc(O)cc2C(=O)c2c1ccc(O)c2O- InChIKey
WNHUAWNEKMITEW-UHFFFAOYSA-N- Molecular formula
- C14H8O5
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.03717335
Overview
Anthrapurpurin is a trihydroxyanthraquinone.
Names & identifiers
- Preferred name
- Anthrapurpurin
- IUPAC
- 1,2,7-trihydroxyanthracene-9,10-dione
- English name
- ANTHRAPURPURIN
- Molecular formula
- C14H8O5
- Molecular weight
- 256.21
Names & synonyms
Anthrapurpurin1,2,7-TRIHYDROXYANTHRAQUINONE1,2,7-trihydroxyanthracene-9,10-dione1,2,7-Trihydroxy-9,10-anthraquinone1,2,7-trihydroxy-9,10-anthracenedioneC.I. 58255Anthraquinone, 1,2,7-trihydroxy-9,10-Anthracenedione, 1,2,7-trihydroxy-3DZB1V3N5HNSC 75635NSC 37590NSC-37590
Show more names
CI 58255ISOPURPURINCI NO 582551,2,7-Trihydroxyanthraquinone,97%
NSC-75635UNII-3DZB1V3N5HCHEBI:37486DTXSID40208947RefChem:113071DTXCID90131438684-819-4602-65-3
Database identifiers
- CAS
602-65-3- PubChem CID
- 1320
- DTXSID
DTXSID40208947- ChEMBL
CHEMBL4864788- ChEBI
CHEBI:37486- UNII
- 3DZB1V3N5H
- EC Number
- 684-819-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Melting point
- 374 °C · 374°C
- Boiling point
- 359.45 °C · 359.45°C (rough estimate)
- Density
- 1.3683 · 1.3683 (rough estimate)
- refractive index
- 1.4825 · 1.4825 (estimate)
- CAS DataBase Reference
- 602 · 602-65-3
- FDA UNII
- 3 DZB1V3N5H · 3DZB1V3N5H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesDyeing, organic synthesis.
Upstream & downstream products
Downstream products
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Additional notes
DefinitionChEBI: Anthrapurpurin is a trihydroxyanthraquinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…