Basic information
- CAS
5832-44-0- Standard SMILES
Cc1ccncc1[N+](=O)[O-]- InChIKey
JLNRJMGYBKMDGI-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.04292743
Names & identifiers
- Preferred name
- 4-Methyl-3-nitropyridine
- IUPAC
- 4-methyl-3-nitropyridine
- English name
- 4-Methyl-3-nitropyridine
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.12
Names & synonyms
4-Methyl-3-nitropyridine5832-44-0DTXSID70334743RefChem:99778DTXCID20285832628-685-7JLNRJMGYBKMDGI-UHFFFAOYSA-N4-Methyl-3-nitro-pyridine3-Nitro-4-picolineMFCD000518293-NITRO-4-METHYLPYRIDINEPYRIDINE, 4-METHYL-3-NITRO-
Show more names
Methyl-3-nitropyridine,4-4-Methyl-3-nitropyridine>4-Methyl-3-nitropyridine 97%4-Methyl-3-nitropyridine,98%Pyridine, 4-methyl-3-nitro- (9CI)4-Methyl-3-nitropyridine ISO 9001：2015 REACH
4-methyl-3-nitro pyridineSCHEMBL319113SCHEMBL1531250SCHEMBL30913354-Methyl-3-nitropyridine, 97%SBB062958AKOS002663658AC-5130
Database identifiers
- CAS
5832-44-0- PubChem CID
- 521828
- DTXSID
DTXSID70334743- EC Number
- 628-685-7
- Nikkaji
- J843.794G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 24 · 24-28 °C
- Boiling point
- 238 °C · 238 °C
- Density
- 1.228 g/mL · 1.228 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.549
- Flash point
- 227 °F · 227 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to lump to clear liquid
- pka
- 1.87 · 1.87±0.18(Predicted)
- color
- White or Colorless to Yellow
- BRN
- 118796 · 118796
- InChI
- InChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3
- InChIKey
- JLNRJMGYBKMDGI-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C)=C1[N+]([O-])=O
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29333990
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Harmful
- safety_code
- 26-39-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses4-Methyl-3-nitropyridine may be used as a starting material in the synthesis of ethyl 6-azaindole-2-carboxylate and also 3-substituted azaindoles.
Uses4-METHYL-3-NITROPYRIDINE is a useful research chemical.
General Description4-Methyl-3-nitropyridine, a substituted nitropyridine, can be prepared by the malonation of 4-methoxy-3-nitropyridine with sodium diethyl malonate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
10 records
Compound notes
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