2-Methoxy-1,3-dimethyl-5-nitrobenzene

HCID 139835

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Basic information

CAS: 14804-39-8
Standard SMILES: COc1c(C)cc([N+](=O)[O-])cc1C
InChIKey: HSDNHFOJTRMGER-UHFFFAOYSA-N
Molecular formula: C9H11NO3
Average molar mass: 181.19 g/mol
Monoisotopic mass: 181.07389321

Names & identifiers

Preferred name: 2-Methoxy-1,3-dimethyl-5-nitrobenzene
IUPAC: 2-methoxy-1,3-dimethyl-5-nitrobenzene
English name: 2,6-Dimethyl-4-nitroanisole
Molecular formula: C9H11NO3
Molecular weight: 181.19

Names & synonyms

2-methoxy-1,3-dimethyl-5-nitrobenzeneRefChem:4741182,6-Dimethyl-4-nitroanisole14804-39-8MFCD00024537Benzene, 2-methoxy-1,3-dimethyl-5-nitro-m-Xylene, 2-methoxy-5-nitro-m-Xylene, 2-methoxy-5-nitro-,2,6-Dimethyl-4-nitrophenyl methyl ether2-methoxy-1,3-dimethyl-5-nitro-benzeneBenzene,2-methoxy-1,3-dimethyl-5-nitro-SCHEMBL654449

Show more names

2,6-dimethyl-4-nitro-anisoleDTXSID70163873HSDNHFOJTRMGER-UHFFFAOYSA-N4-methoxy-3,5-dimethylnitrobenzeneALBB-0233462-Methoxy-13-dimethyl-5-nitrobenzeneAKOS0033683982,6-dimethyl-1-methoxy-4-nitrobenzene

Database identifiers

CAS: 14804-39-8
PubChem CID: 139835
DTXSID: DTXSID70163873
EC Number: 642-652-4
Nikkaji: J485.971E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 178

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point: 85 · 85-89°C
storage temp.: Store at room temperature
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.