1,2-Diaminoanthraquinone
Basic information
- CAS
1758-68-5- Standard SMILES
Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
LRMDXTVKVHKWEK-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422756
Names & identifiers
- Preferred name
- 1,2-Diaminoanthraquinone
- IUPAC
- 1,2-diaminoanthracene-9,10-dione
- English name
- 1,2-Diaminoanthraquinone
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
1,2-Diaminoanthraquinone1758-68-59,10-Anthracenedione, 1,2-diamino-1,2-DaaANTHRAQUINONE, 1,2-DIAMINO-1,2-Diamino-9,10-anthraquinoneH5P6YP29VANSC-39934RefChem:71804217-156-21,2-diaminoanthracene-9,10-dione1,2-diamino-10-anthracenedione
Show more names
DAA1,2-diamino-anthraquinon1,2-Diaminoanthraquinone, 95%
1,2-Diamino-9,10-anthracenedioneMFCD00001219CCRIS 5602EINECS 217-156-2DiaminoanthraquinoneNSC 399341, 2-DiaminoanthraquinoneBIDD:GT0412
Database identifiers
- CAS
1758-68-5- PubChem CID
- 15652
- DTXSID
DTXSID5061950- ChEMBL
CHEMBL89626- UNII
- H5P6YP29VA
- EC Number
- 217-156-2
- Nikkaji
- J3.376F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 289 · 289-291 °C (lit.)
- Boiling point
- 380.84 °C · 380.84°C (rough estimate)
- Density
- 1.1907 · 1.1907 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Solid
- pka
- 0.53 · 0.53±0.20(Predicted)
- color
- Brown to black
- BRN
- 2125604 · 2125604
- InChI
- 1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2
- InChIKey
- LRMDXTVKVHKWEK-UHFFFAOYSA-N
- SMILES
- Nc1ccc2C(=O)c3ccccc3C(=O)c2c1N
- CAS DataBase Reference
- 1758 · 1758-68-5(CAS DataBase Reference)
- FDA UNII
- 5 P6YP29VA · H5P6YP29VA
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,2-diamino- (1758-68-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 6200000 · CB6200000
- TSCA
- TSCA listed
- HS Code
- 2921599090 · 2921599090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB6200000
- hs_code
- 2921599090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,2-diamino-: ACTIVE
Applications
Uses1,2-Diaminoanthraquinone is for the direct detection of nitric oxide.
Upstream & downstream products
Downstream products
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Related reactions
13 records
Compound notes
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