2,4-Dimethoxy-1-nitrobenzene
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Basic information
- CAS
4920-84-7- Standard SMILES
COc1ccc([N+](=O)[O-])c(OC)c1- InChIKey
XXWIYOBCHKCWNT-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- 2,4-Dimethoxy-1-nitrobenzene
- IUPAC
- 2,4-dimethoxy-1-nitrobenzene
- English name
- 2,4-Dimethoxy-1-nitrobenzene
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
2,4-dimethoxy-1-nitrobenzene4920-84-71,3-Dimethoxy-4-nitrobenzeneVBX4VSP74UNSC-62004DTXSID80197720RefChem:1059753DTXCID40120211225-551-62,4-DimethoxynitrobenzeneMFCD000242102,4-dimethoxy-1-nitro-benzene
Show more names
2,4-diMethoxylnitrobenzene4-NITRO-1,3-DIMETHOXYBENZENE2,4-Dimethoxy-1-nitrobenzene>2,4-Dimethoxy-1-nitrobenzene,98%2,4-DIMETHOXY-1-NITROBENZENE 98%4-Nitroresorcinol dimethyl ether
Benzene, 2,4-dimethoxy-1-nitro-NSC62004EINECS 225-551-6UNII-VBX4VSP74U2,4dimethoxy-nitrobenzene2,4-dimethoxy-nitrobenzene2.4-dimethoxy-nitrobenzeneSCHEMBL4142866
Database identifiers
- CAS
4920-84-7- PubChem CID
- 78633
- DTXSID
DTXSID80197720- UNII
- VBX4VSP74U
- EC Number
- 225-551-6
- Nikkaji
- J154.682A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 72 · 72-76 °C(lit.)
- Boiling point
- 256.82 °C · 256.82°C (rough estimate)
- Density
- 1.1876 · 1.1876
- refractive index
- 1.531 · 1.5310 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- InChI
- InChI=1S/C8H9NO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
- InChIKey
- XXWIYOBCHKCWNT-UHFFFAOYSA-N
- SMILES
- C1([N+]([O-])=O)=CC=C(OC)C=C1OC
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- safety_code
- 24/25-22
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
55 records
Compound notes
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