Basic information
- CAS
6837-97-4- Standard SMILES
O=C1c2c(O)ccc(Cl)c2C(=O)c2c(O)ccc(Cl)c21- InChIKey
MVTQMYUSTKVGRP-UHFFFAOYSA-N- Molecular formula
- C14H6Cl2O4
- Average molar mass
- 309.1 g/mol
- Monoisotopic mass
- 307.9643141
Names & identifiers
- Preferred name
- 1,5-Dichloro-4,8-dihydroxy-anthraquinone
- IUPAC
- 1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione
- English name
- 1,5-dichloro-4,8-dihydroxyanthraquinone
- Molecular formula
- C14H6Cl2O4
- Molecular weight
- 309.10104
Names & synonyms
4,8-Dichloroanthrarufin6837-97-4Dichloroanthrarufin1,5-Dichloro-4,8-dihydroxyanthraquinone9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy-Anthrarufin, 4,8-dichloro-NSC 30461Anthraquinone, 1,5-dichloro-4,8-dihydroxy-4,8-Dichloro-1,5-dihydroxyanthraquinone1,5-dichloro-4,8-dihydroxy-anthraquinoneEINECS 229-924-4NSC 227208
Show more names
4,8-Dichloranthrarufin4,8-Dichloro-1,5-dihydroxy-9,10-anthraquinone1,5-Dichloro-4,8-dihydroxy-9,10-anthraquinone1,5-Dichloro-4,8-Dihydroxyanthracene-9,10- Dione
BRN 315485349GI1H30FBNSC-30461NSC-227208ANTHRAQUINONE, 4,8-DICHLORO-1,5-DIHYDROXY-DTXSID30644853-08-00-03791 (Beilstein Handbook Reference)DICHLORO-4,8-DIHYDROXYANTHRAQUINONE, 1,5-
Database identifiers
- CAS
6837-97-4- PubChem CID
- 23271
- DTXSID
DTXSID3064485- UNII
- 49GI1H30FB
- EC Number
- 229-924-4
- Nikkaji
- J8.845E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 423.87 °C · 423.87°C (rough estimate)
- Density
- 1.4147 · 1.4147 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- FDA UNII
- 49 GI1H30FB · 49GI1H30FB
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy- (6837-97-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
Cck Pharmchem Co.,ltd0512-68131995 13862051930
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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