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2-Amino-4-nitroanisole

CAT: 0286-A25820-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-A25820-01Size:100 g
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CAS Number
99-59-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007261
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Methoxy-5-nitroaniline

2-methoxy-5-nitroaniline is a substituted aniline and a member of 4-nitroanisoles.

CAS Number99-59-2
PubChem CID7447
IUPAC Name2-methoxy-5-nitroaniline
Molecular FormulaC7H8N2O3
Molecular Weight168.15
XLogP1.5
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity169
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])N
InChI
InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3
InChIKey
NIPDVSLAMPAWTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-5-nitroaniline
CAS: 99-59-2
CID: 7447
Formula: C7H8N2O3
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass168.05349212
Monoisotopic Mass168.05349212
Topological Polar Surface Area81.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity169
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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