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2 4-Dinitroacetanilide

CAT: 0286-D46420-02Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-D46420-02Size:500 g
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CAS Number
610-53-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00024398
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
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

Acetamide, N-(2,4-dinitrophenyl)-
CAS Number610-53-7
PubChem CID69124
IUPAC NameN-(2,4-dinitrophenyl)acetamide
Molecular FormulaC8H7N3O5
Molecular Weight225.16
XLogP1
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity308
SMILES
CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O5/c1-5(12)9-7-3-2-6(10(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,9,12)
InChIKey
BRZYMGKDOVQJGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, N-(2,4-dinitrophenyl)-
CAS: 610-53-7
CID: 69124
Formula: C8H7N3O5
MW: 225.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.16
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass225.03857033
Monoisotopic Mass225.03857033
Topological Polar Surface Area121 Ų
Heavy Atom Count16
Formal Charge0
Complexity308
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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