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4,6-Dinitro-o-cresol 97%

CAT: 0286-D46950Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-D46950Size:5 g
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CAS Number
534-52-1
Synonyms
4,6-Dinitro-2-methylphenol; 4,6-Dinitro-2-cresol, DNOC, 2-Methyl-4,6-dinitrophenol; 3,5-Dinitro-2-hydroxytoluene
UN Code
UN1598
Pictogram
05 - Corrosive; 06 - Acute Toxicity; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00007105
Hazard Statement
H300 Fatal if swallowed; H310 Fatal in contact with skin; H315 Causes skin irritation; H318 Causes serious eye damage; H330 Fatal if inhaled; H341 Suspected of causing genetic defects; H410 Very toxic to aquatic life with long-lasting effects.
Other Statements
EUH044 Risk of explosion if heated under confinement
DOT Name
Dinitro-o-Cresol
DOT Classification
Class 6.1
Packaging Group
PGII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P273 Avoid release to the environment; P284 Wear respiratory 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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool; P410+P403 Protect from sunlight. Store in a well-ventilated place.

Chemical Information

2-Methyl-4,6-dinitrophenol

4,6-dinitro-o-cresol is a hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6. It has a role as a fungicide, a herbicide and a dinitrophenol insecticide. It is a hydroxytoluene, a nitrotoluene and a dinitrophenol acaricide. It is functionally related to an o-cresol and a 2,4-dinitrophenol.

CAS Number534-52-1
PubChem CID10800
IUPAC Name2-methyl-4,6-dinitrophenol
Molecular FormulaC7H6N2O5
Molecular Weight198.13
XLogP2.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity245
SMILES
CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKey
ZXVONLUNISGICL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4,6-dinitrophenol
CAS: 534-52-1
CID: 10800
Formula: C7H6N2O5
MW: 198.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.13
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass198.02767130
Monoisotopic Mass198.02767130
Topological Polar Surface Area112 Ų
Heavy Atom Count14
Formal Charge0
Complexity245
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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Alternative Products

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