2-Methoxy-4-methyl-5-nitropyridine

HCID 243169

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Basic information

CAS: 6635-90-1
Standard SMILES: COc1cc(C)c([N+](=O)[O-])cn1
InChIKey: DJNQRLCFAHKFLZ-UHFFFAOYSA-N
Molecular formula: C7H8N2O3
Average molar mass: 168.15 g/mol
Monoisotopic mass: 168.05349212

Names & identifiers

Preferred name: 2-Methoxy-4-methyl-5-nitropyridine
IUPAC: 2-methoxy-4-methyl-5-nitropyridine
English name: 2-METHOXY-5-NITRO-4-PICOLINE
Molecular formula: C7H8N2O3
Molecular weight: 168.15

Names & synonyms

2-methoxy-4-methyl-5-nitropyridineDTXSID00287773RefChem:474392DTXCID80238920687-286-66635-90-12-Methoxy-5-nitro-4-picoline2-methoxy-4-methyl-5-nitro-pyridinePyridine, 2-methoxy-4-methyl-5-nitro-MFCD03095075NSC52457SCHEMBL1559236

Show more names

6-methoxy-3-methyl-2-nitropyridine2-METHOXY-5-NITRO-4-ICOLINE2-Methoxy-5-nitro-4-picolin2-Metho×y-5-nitro-4-picoline2-Methoxy-5-nitro-4-methylprydine2-Methoxy-5-nitro-4-picoline ,99%2-Metoxy-4-Methyl-5-Nitropyridine

NSC-524572-Methoxy-4-methyl-5-nitropyridine, 97%NSC 52457BCP221582-METHOXY-5-NITRO-4-METHYLPYRIDINEA8952CS-W00301SBB065559

Database identifiers

CAS: 6635-90-1
PubChem CID: 243169
DTXSID: DTXSID00287773
EC Number: 687-286-6

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 79 to · 79.0 to 83.0 °C
Boiling point: 280.3 · 280.3±35.0 °C(Predicted)
Density: 1.247 · 1.247±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 0.02 · 0.02±0.18(Predicted)
form: Solid
color: Pale Yellow to Pale Beige
Water Solubility: Slightly soluble in water.
InChI: 1S/C7H8N2O3/c1-5-3-7(12-2)8-4-6(5)9(10)11/h3-4H,1-2H3
InChIKey: DJNQRLCFAHKFLZ-UHFFFAOYSA-N
SMILES: COc1cc(C)c(cn1)[N+]([O-])=O
CAS DataBase Reference: 6635 · 6635-90-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-37/39-39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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 CategoriesAcute Tox. 4 (97.5%)

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38-41-37/38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Uses2-Methoxy-4-methyl-5-nitropyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.