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2-Methyl-5-nitroimidazole 99%

CAT: 0286-M22968Size: 50 gDry Ice: NoHazardous: No
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CAT#:0286-M22968Size:50 g
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CAS Number
696-23-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00151322
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

2-Methyl-5-nitroimidazole

2-Methyl-5-nitroimidazole is a member of imidazoles and a C-nitro compound.

CAS Number696-23-1
PubChem CID12760
IUPAC Name2-methyl-5-nitro-1H-imidazole
Molecular FormulaC4H5N3O2
Molecular Weight127.10
XLogP0.3
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity121
SMILES
CC1=NC=C(N1)[N+](=O)[O-]
InChI
InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
InChIKey
FFYTTYVSDVWNMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-5-nitroimidazole
CAS: 696-23-1
CID: 12760
Formula: C4H5N3O2
MW: 127.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.10
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass127.038176411
Monoisotopic Mass127.038176411
Topological Polar Surface Area74.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity121
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

CatalogName
MBS6023393-012-Methyl-5-nitroimidazole
sc-230524B2-Methyl-4 (5) -nitroimidazole
HY-W010433R2-Methyl-5-nitroimidazole (Standard)
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sc-2247451-Methyl-5-nitroimidazole
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