Basic information
- CAS
517-92-0- Standard SMILES
O=C1c2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c2C(=O)c2c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c21- InChIKey
YYOOOMNEONKALI-UHFFFAOYSA-N- Molecular formula
- C14H4N4O12
- Average molar mass
- 420.2 g/mol
- Monoisotopic mass
- 419.98257158
Names & identifiers
- Preferred name
- Chrysamminic acid
- IUPAC
- 1,8-dihydroxy-2,4,5,7-tetranitroanthracene-9,10-dione
- English name
- 1,8-dihydroxy-2,4,5,7-tetranitroanthraquinone
- Molecular formula
- C14H4N4O12
- Molecular weight
- 420.2
Names & synonyms
Chrysamminic acidChrysammic acid517-92-01,8-Dihydroxy-2,4,5,7-tetranitroanthraquinone2,4,5,7-TetranitrochrysazinNSC 9046NSC-9046EINECS 208-246-2W9181275ZSCHRYSAMMINIC ACID [MI]DTXSID501996559,10-Anthracenedione, 1,8-dihydroxy-2,4,5,7-tetranitro-
Show more names
1,8-DIHYDROXY-2,4,5,7-TETRANITROANTHRA-9,10-QUINONE1,8-Dihydroxy-2,4,5,7-tetranitro-9,10-anthraquinone
1,8-DIHYDROXY-2,4,5,7-TETRANITRO-9,10-ANTHRACENEDIONEANTHRAQUINONE, 1,8-DIHYDROXY-2,4,5,7-TETRANITRO-RefChem:577055DTXCID10122146Anthraquinone, 1,8-dihydroxy-2,4,5,7-tetranitro-(8CI)9,10-Anthracenedione, 1,8-dihydroxy-2,4,5,7-tetranitro-(9CI)208-246-21,8-dihydroxy-2,4,5,7-tetranitroanthracene-9,10-dione
Database identifiers
- CAS
517-92-0- PubChem CID
- 3938245
- DTXSID
DTXSID50199655- UNII
- W9181275ZS
- EC Number
- 208-246-2
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 258 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 761
Physicochemical properties
- Melting point
- 200 °C · >200 °C (decomp)
- Boiling point
- 537.46 °C · 537.46°C (rough estimate)
- Density
- 1.6285 · 1.6285 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 0.07 · 0.07±0.20(Predicted)
- FDA UNII
- 9181275 ZS · W9181275ZS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
DOT Hazard Classification
1,8-Dihydroxy-2,4,5,7-tetranitroanthraquinone (chrysamminic acid)
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers7 total
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海威尔舒氪医药科技有限公司15250615384
Alfa Chemistry+1-5166625404 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
河南卓凡化工有限公司15638881523 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…