Pyridine, 2-((4-nitrophenyl)methyl)-
Basic information
- CAS
620-87-1- Standard SMILES
O=[N+]([O-])c1ccc(Cc2ccccn2)cc1- InChIKey
YBRDBYGCEIDLBX-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Overview
See also: 2-((4-Nitrophenyl)methyl)-pyridine (annotation moved to).
Names & identifiers
- Preferred name
- Pyridine, 2-((4-nitrophenyl)methyl)-
- IUPAC
- 2-[(4-nitrophenyl)methyl]pyridine
- English name
- 2-(p-Nitrobenzyl)pyridine
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
2-[(4-nitrophenyl)methyl]pyridinePyridine, 2-(p-nitrobenzyl)-Pyridine, 2-[(4-nitrophenyl)methyl]-Pyridine, 2-((4-nitrophenyl)methyl)-NSC 316082-((4-Nitrophenyl)methyl)pyridineRefChem:8705912-(p-Nitrobenzyl)pyridine620-87-12-(4-Nitrobenzyl)pyridineMFCD00043592NSC31608
Show more names
TIMTEC-BB SBB008013Pyridine, 2-(4-nitrobenzyl)-2-[(4-nitrophenyl)methyl]-pyridin6-nitro-1,2-dihydroacenaphthylen-5-amine2-(P-NITROBENZYL)PYRIDINE ISO 9001：2015 REACH
Pyridine, [(4-nitrophenyl)methyl]-2- (4-nitrobenzyl)pyridineOprea1_39066349796-87-4MLS001360454SCHEMBL1053453CHEMBL1559068DTXSID0060725
Database identifiers
- CAS
620-87-1- PubChem CID
- 69292
- DTXSID
DTXSID0060725- ChEMBL
CHEMBL1559068- Nikkaji
- J421.518D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
Solubility>32.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 78 · 78-80°C
- Boiling point
- 363.2 · 363.2±22.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.10(Predicted)
- EPA Substance Registry System
- 2 · 2-(4-Nitrobenzyl)pyridine (620-87-1)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H317-H335-H302
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H318-H315-H317-H335-H302
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridine, 2-[(4-nitrophenyl)methyl]-: INACTIVE
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Related reactions
5 records
Compound notes
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