3-Methoxy-5-nitroaniline - CAS 586-10-7

Catalog:	BB047162
Product Name:	3-Methoxy-5-nitroaniline
CAS:	586-10-7
Synonyms:	3-methoxy-5-nitro-phenylamine; 3-methoxy-5-nitrophenylamine; (3-methoxy-5-nitrophenyl)amine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-methoxy-5-nitroaniline
Description:	3-Methoxy-5-nitroaniline (CAS# 586-10-7 ) is a useful research chemical.
Molecular Weight:	168.15
Molecular Formula:	C7H8N2O3
Canonical SMILES:	COC1=CC(=CC(=C1)[N+](=O)[O-])N
InChI:	InChI=1S/C7H8N2O3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3
InChI Key:	BGWUXZLHDLNYHW-UHFFFAOYSA-N
Boiling Point:	365.3 °C at 760 mmHg
Melting Point:	117-119 °C
Purity:	95 %
Density:	1.318 g/cm³

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Related Functional Groups

Nitrogen Compounds

[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05349212
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05349212
Rotatable Bond Count:	1
Topological Polar Surface Area:	81.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2