1-Nitroanthraquinone-5-sulfonic acid

HCID 6714CAS 82-50-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc([N+](=O)[O-])c21
InChIKey
JFORTLRWSWJGGI-UHFFFAOYSA-N
Molecular formula
C14H7NO7S
Average molar mass
333.27 g/mol
Monoisotopic mass
332.99432256

Names & identifiers

Preferred name
1-Nitroanthraquinone-5-sulfonic acid
IUPAC
5-nitro-9,10-dioxoanthracene-1-sulfonic acid
English name
1-Nitroanthraquinone-5-sulfonic acid sodium salt
Molecular formula
C14H7NO7S
Molecular weight
333.27

Names & synonyms

82-50-81-Anthracenesulfonic acid, 9,10-dihydro-5-nitro-9,10-dioxo-1-Nitro-5-sulfoanthraquinone1-Nitro-5-anthraquinonesulfonic acid5-Nitroanthraquinone-1-sulfonic acid1-Nitro-5-sulfonato-anthraquinone1-Nitroanthraquinone-5-sulfonic acidCCRIS 56105-Nitro-1-sulfonatoanthraquinoneNSC 5535EINECS 201-428-29,10-Dihydro-5-nitro-9,10-dioxo-1-anthracenesulfonic acid
Show more names
1-Nitro-5-sulfonate-anthraquinone5-nitro-9,10-dioxoanthracene-1-sulfonicaci5-nitro-9,10-dioxoanthracene-1-sulfonic acid5-nitro-9,10-dioxo-1-anthracenesulfonic acid5-nitro-9,10-dioxo-anthracene-1-sulfonic acid9,10-diketo-5-nitro-anthracene-1-sulfonic acid1-Nitroanthraquinone-5-sulfonic acid sodium salt9,10-dihydro-5-nitro-9,10-dioxoanthracenesulphonic acid9,10-dihydro-9,10-dioxo-1-nitro-5-anthracenesulfonicaci
BRN 2774717HK764PW306NSC-55359,10-Dioxo-1-nitro-9,10-dihydro-5-anthracenesulfonic acid4-11-00-00671 (Beilstein Handbook Reference)DTXSID30588785-ANTHRACENESULFONIC ACID, 9,10-DIHYDRO-9,10-DIOXO-1-NITRO-1-ANTHRAQUINONESULFONIC ACID, 5-NITRO-

Database identifiers

CAS
82-50-8
PubChem CID
6714
DTXSID
DTXSID3058878
UNII
HK764PW306
EC Number
201-428-2
Nikkaji
J3.867I

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
143 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
23

Physicochemical properties

Density
1.5809 · 1.5809 (rough estimate)
refractive index
1.705 · 1.7050 (estimate)
storage temp.
Sealed in dry,Room Temperature
FDA UNII
764 PW306 · HK764PW306
EPA Substance Registry System
1 · 1-Anthracenesulfonic acid, 9,10-dihydro-5-nitro-9,10-dioxo- (82-50-8)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Anthracenesulfonic acid, 9,10-dihydro-5-nitro-9,10-dioxo-: INACTIVE

Suppliers8 total

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

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