3-Methyl-4-nitroanisole - CAS 5367-32-8

Catalog:	BB028315
Product Name:	3-Methyl-4-nitroanisole
CAS:	5367-32-8
Synonyms:	Benzene, 4-methoxy-2-methyl-1-nitro-; Anisole, 3-methyl-4-nitro-; 2-Methyl-4-methoxynitrobenzene; 2-Nitro-5-methoxytoluene; 3-Methyl-4-nitrophenol methyl ether; 5-Methoxy-2-nitrotoluene; NSC 37985

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methoxy-2-methyl-1-nitrobenzene
Molecular Weight:	167.16
Molecular Formula:	C8H9NO3
Canonical SMILES:	CC1=C(C=CC(=C1)OC)[N+](=O)[O-]
InChI:	InChI=1S/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3
InChI Key:	RTZOGYCMIMOVHU-UHFFFAOYSA-N
Boiling Point:	16-20°C at 4 Torr
Melting Point:	55°C
Purity:	95%
Density:	1.180±0.06 g/cm3
Appearance:	Light Yellow to Brown Powder to Crystal
Storage:	Store at RT
MDL:	MFCD00007167
LogP:	2.43500

Publication Number	Title	Priority Date
CN-111468124-A	Synthetic method of aminoanisole compound	20190123
CN-111470985-A	Synthetic method of aminoanisole compound	20190123
CN-111470986-A	Synthetic method of aminoanisole compound	20190123
CN-111470991-A	Synthetic method of aminoanisole compound	20190123
TW-202035426-A	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.058243149
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.058243149
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8