Basic information
- CAS
89076-64-2- Standard SMILES
O=[N+]([O-])c1ccc(-c2ccccc2)nc1- InChIKey
WJOAJTWVYTULDB-UHFFFAOYSA-N- Molecular formula
- C11H8N2O2
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.0585775
Names & identifiers
- Preferred name
- 5-Nitro-2-phenylpyridine
- IUPAC
- 5-nitro-2-phenylpyridine
- English name
- 5-Nitro-2-phenylpyridine
- Molecular formula
- C11H8N2O2
- Molecular weight
- 200.19
Names & synonyms
5-nitro-2-phenylpyridine89076-64-2DTXSID00376530RefChem:304408DTXCID10327558Pyridine,5-nitro-2-phenyl-5-nitro-2-phenyl-pyridineMFCD04114193(5-Nitropyridin-2-yl)benzene3-nitro-6-phenylpyridine2-Phenyl-5-nitropyridine3-Nitro-6-phenylpridine
Show more names
5-NITRO-2-METHYLANISOLE
SCHEMBL71038SCHEMBL695031SCHEMBL695700WJOAJTWVYTULDB-UHFFFAOYSA-NSBB065615AKOS005070371SB55330DB-078298
Database identifiers
- CAS
89076-64-2- PubChem CID
- 2762873
- DTXSID
DTXSID00376530- Nikkaji
- J345.623D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 116 · 116-118°
- Boiling point
- 344.1 · 344.1±22.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.4 · 0.40±0.10(Predicted)
- form
- solid
- InChI
- 1S/C11H8N2O2/c14-13(15)10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-8H
- InChIKey
- WJOAJTWVYTULDB-UHFFFAOYSA-N
- SMILES
- [O-][N+](C1=CN=C(C2=CC=CC=C2)C=C1)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 3
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
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Related reactions
10 records
Compound notes
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