1,4-Dichloro-5,8-dihydroxyanthraquinone

HCID 76071CAS 2832-30-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2c(O)ccc(O)c2C(=O)c2c(Cl)ccc(Cl)c21
InChIKey
MEHLXACDLXEVBE-UHFFFAOYSA-N
Molecular formula
C14H6Cl2O4
Average molar mass
309.1 g/mol
Monoisotopic mass
307.96431403

Names & identifiers

Preferred name
1,4-Dichloro-5,8-dihydroxyanthraquinone
IUPAC
1,4-dichloro-5,8-dihydroxyanthracene-9,10-dione
English name
5,8-Dichloro-1,4-dihydroxyanthraquinone
Molecular formula
C14H6Cl2O4
Molecular weight
309.1

Names & synonyms

1,4-Dichloro-5,8-dihydroxyanthraquinone5,8-Dichloro-1,4-dihydroxyanthraquinone5,8-Dichloroquinizarin1,4-dichloro-5,8-dihydroxy-9,10-anthraquinoneEINECS 220-599-4UNII-DW181544YUDW181544YUAnthraquinone, 1,4-dichloro-5,8-dihydroxy-DTXSID701825649,10-Anthracenedione, 1,4-dichloro-5,8-dihydroxy-1,4-DIHYDROXY-5,8-DICHLOROANTHRAQUINONE5,8-DICHLORO-1,4-DIHYDROXY-9,10-ANTHRAQUINONE
Show more names
1,4-Dichlor-5,8-dihydroxyanthrachinon5,8-Dichloro-1.4-Dihydroxyanthaguinone5,8-DICHLORO-1,4-DIHYDROXYANTHRAQUINONE, 98
1,4-DICHLORO-5,8-DIHYDROXY-9,10-ANTHRACENEDIONERefChem:73232DTXCID10105055220-599-42832-30-61,4-dichloro-5,8-dihydroxyanthracene-9,10-dione5,8-DichlorchinizarinSCHEMBL497611

Database identifiers

CAS
2832-30-6
PubChem CID
76071
DTXSID
DTXSID70182564
UNII
DW181544YU
EC Number
220-599-4
Nikkaji
J7.920K

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

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
275 · 275-278 °C(lit.)
Boiling point
564.7 · 564.7±50.0 °C(Predicted)
Density
1.718 · 1.718±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 25℃
pka
6.61 · 6.61±0.20(Predicted)
Water Solubility
11.8 μg/L · 11.8μg/L at 20℃

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.9% (2 of 41) of reports.

Warning

H315 (92.7%): 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: 1,4-dichloro-5,8-dihydroxyanthraquinone (EC: 220-599-4)
Hazard Classes and CategoriesSkin Irrit. 2 (92.7%)

Safety data

risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39
Hazard statements
H319-H335-H315

Chemistry & industry

Applications

Uses5,8-Dichloro-1,4-dihydroxyanthraquinone is a useful research chemical compound for organic synthesis and other chemical processes.

Upstream & downstream products

Suppliers14 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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