Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C)n1- InChIKey
AETHUDGJSSKZKT-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-nitropyridine
- IUPAC
- 2,6-dimethyl-3-nitropyridine
- English name
- 2,6-Dimethyl-3-nitropyridine
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
2,6-Dimethyl-3-nitropyridine15513-52-7EINECS 239-543-5NSC 88939DTXSID10165816RefChem:83287DTXCID8088307239-543-5Pyridine, 2,6-dimethyl-3-nitro-3-Nitro-2,6-lutidineMFCD000235032,6-Dimethyl-3-nitroypyridine
Show more names
3-Bromo-3-Nitropyridine3-Nitro-2,6-lutidine,99%Pyridine,2,6-diMethyl-3-nitro-2,6-Dimethyl-3-nitropyridine >2,6-Dimethyl-3-nitropyridine ISO 9001:2015 REACH
3-Nitro-2,6-lutidine, 97%AKOS015842622CS-W010953PS-6214AC-907/25004680nitrolutidine3-nitro-2,6-dimethylpyridineNSC88939
Database identifiers
- CAS
15513-52-7- PubChem CID
- 84958
- DTXSID
DTXSID10165816- EC Number
- 239-543-5
- Nikkaji
- J317.949D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 26 · 26-31 °C (lit.)
- Boiling point
- 105 °C/10mmHg · 105°C/10mmHg(lit.)
- Density
- 1.45 · 1.45
- Flash point
- 100 °F · 100 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- Powder
- pka
- 2 · 2+-.0.10(Predicted)
- color
- Off-white to tan
- InChI
- 1S/C7H8N2O2/c1-5-3-4-7(9(10)11)6(2)8-5/h3-4H,1-2H3
- InChIKey
- AETHUDGJSSKZKT-UHFFFAOYSA-N
- SMILES
- Cc1ccc(c(C)n1)[N+]([O-])=O
- CAS DataBase Reference
- 15513 · 15513-52-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 228 · H228-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P305+P351+P338
- PPE
- 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- F,Xi,Xn
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36
- RIDADR
- 1325 · UN 1325 4.1/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 4.1 · 4.1
- PackingGroup
- III
- HS Code
- 29333999 · 29333999
- Storage Class
- 4.1 B · 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesFlam. Sol. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 3
- hs_code
- 29333999
- risk_code
- 11-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi,Xn
- hazard_note
- Irritant
- safety_code
- 16-26-36
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- Hazard statements
- H228-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Nitro-2,6-lutidine may be used in the preparation of 3-methoxy-2,7-dimethyl-2H-1,4-diazepine1 and 3-amino-2,6-lutidine.
General Description3-Nitro-2,6-lutidine, a nitropyridine derivative, is also known as 2,6-dimethyl-3-nitropyridine. It can be prepared from 2,6-lutidine via nitration.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
湖北鑫立恒化工有限公司13164644252
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Related reactions
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