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2-Methyl-6-nitropyridine

HCID 298626
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Basic information

CAS
18368-61-1
Standard SMILES
Cc1cccc([N+](=O)[O-])n1
InChIKey
DEEYZLKYZZUQPC-UHFFFAOYSA-N
Molecular formula
C6H6N2O2
Average molar mass
138.12 g/mol
Monoisotopic mass
138.04292744

Names & identifiers

Preferred name
2-Methyl-6-nitropyridine
IUPAC
2-methyl-6-nitropyridine
English name
2-Methyl-6-nitropyridine
Molecular formula
C6H6N2O2
Molecular weight
138.12

Names & synonyms

2-Methyl-6-nitropyridine18368-61-12-Nitro-6-picoline2-Picoline, 6-nitro-MFCD04114203Pyridine, 2-methyl-6-nitro-NSC-1708452-methyl-6-nitro-pyridine2-Nitro-6-methylpyridineNSC1708456-nitro-2-picolinePyridine, 2-methyl-6-nitro- (9CI)
Show more names
2-Methyl-6-nitropyridine 95+%2-METHYL-6-NITROPYRIDINE ISO 9001:2015 REACH
2W7HWF7XBC2-Methyl-6-nitropyridine #SCHEMBL2509869SCHEMBL65449962-Methyl-6-nitropyridine 97%SCHEMBL16289365SCHEMBL30945318DTXSID80305469

Database identifiers

CAS
18368-61-1
PubChem CID
298626
DTXSID
DTXSID80305469
UNII
2W7HWF7XBC
Nikkaji
J110.487J

Properties

Computed structural properties

XLogP
1.4
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

Physicochemical properties

Melting point
113 · 113-114 °C
Boiling point
263.8 · 263.8±20.0 °C(Predicted)
Density
1.246 · 1.246±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
pka
-1.87 · -1.87±0.12(Predicted)
Appearance
White to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338
Hazard Codes
Xi
Hazard Note
Irritant
HS Code
2933399990 · 2933399990

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

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

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