1-Nitroanthraquinone
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Basic information
- CAS
82-34-8- Standard SMILES
O=C1c2ccccc2C(=O)c2c1cccc2[N+](=O)[O-]- InChIKey
YCANAXVBJKNANM-UHFFFAOYSA-N- Molecular formula
- C14H7NO4
- Average molar mass
- 253.21 g/mol
- Monoisotopic mass
- 253.0375077
Names & identifiers
- Preferred name
- 1-Nitroanthraquinone
- IUPAC
- 1-nitroanthracene-9,10-dione
- English name
- 1-NITROANTHRAQUINONE
- Molecular formula
- C14H7NO4
- Molecular weight
- 253.21
Names & synonyms
1-NITROANTHRAQUINONE9,10-Anthracenedione, 1-nitro-EINECS 201-413-0NSC 121251-Nitro-9,10-anthracenedioneDTXSID3052569RefChem:76583DTXCID4031142201-413-0YCANAXVBJKNANM-UHFFFAOYSA-N82-34-81-nitroanthracene-9,10-dione
Show more names
Nitroanthraquinonetetrafluorotitanium1-Nitoanthrapuinone1-nitro-anthraquinon1-Nitroanthraquinione1-Nitroanthraquinone>alpha-nitroanthraquinone
1-Nitroanthrachinon1-Nitro-anthraquinoneAnthraquinone, 1-nitro-MFCD00019140.alpha.-NitroanthraquinoneGE4B3RL7PK1-nitro-9,10-dihydroanthracene-9,10-dioneNSC-12125
Database identifiers
- CAS
82-34-8- PubChem CID
- 6704
- DTXSID
DTXSID3052569- UNII
- GE4B3RL7PK
- EC Number
- 201-413-0
- Nikkaji
- J47.578E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 232.5 · 232.5~233.5℃
- Boiling point
- 270 · 270~271℃(933Pa)
- Density
- 1.3146 · 1.3146 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- Flash point
- 243.3 · 243.3 ±18.5 ℃
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- color
- Light yellow to Brown
- InChI
- InChI=1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H
- InChIKey
- YCANAXVBJKNANM-UHFFFAOYSA-N
- SMILES
- C1([N+]([O-])=O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- CB7940000
- hs_code
- 2914.69.9000
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-nitro-: ACTIVE
Applications
Uses1-Nitroanthraquinone is used in the manufacture of various dyes, pharmaceuticals and similar products, either directly or after reduction to l-aminoanthraquinone.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
114 records
Compound notes
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