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5-Methoxy-3-nitrosalicylaldehyde 97%

CAT: 0286-M08620-01Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-M08620-01Size:10 g
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CAS Number
34549-69-4
Synonyms
2-Hydroxy-5-methoxy-3-nitrobenzaldehyde; 3-Nitro-5-methoxysalicylaldehyde; 2-Hydroxy-3-nitro-5-methoxybenzaldehyde
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00016640
Hazard Statement
H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H317 May cause an allergic skin reaction; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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; P333+P313 IF SKIN irritation or rash occurs: Get medical advice/attention.

Chemical Information

2-Hydroxy-5-methoxy-3-nitrobenzaldehyde
CAS Number34549-69-4
PubChem CID522218
IUPAC Name2-hydroxy-5-methoxy-3-nitrobenzaldehyde
Molecular FormulaC8H7NO5
Molecular Weight197.14
XLogP1.4
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity226
SMILES
COC1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
InChI
InChI=1S/C8H7NO5/c1-14-6-2-5(4-10)8(11)7(3-6)9(12)13/h2-4,11H,1H3
InChIKey
CCHTVTHOPTTYSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-5-methoxy-3-nitrobenzaldehyde
CAS: 34549-69-4
CID: 522218
Formula: C8H7NO5
MW: 197.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight197.14
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass197.03242232
Monoisotopic Mass197.03242232
Topological Polar Surface Area92.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity226
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