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3-Nitro-1,2,4-triazole

CAT: 0572-TRC-N585000-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N585000-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24807-55-4
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[O-][N+](=O)c1nc[nH]n1
Molecular Formula
C2 H2 N4 O2
Molecular Weight
114.06
InChI
InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)
Additionnal Information
IUPAC name: 3-nitro-1H-1,2,4-triazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Nitro-1,2,4-triazole
CAS Number24807-55-4
PubChem CID90614
IUPAC Name5-nitro-1H-1,2,4-triazole
Molecular FormulaC2H2N4O2
Molecular Weight114.06
XLogP0.1
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
C1=NNC(=N1)[N+](=O)[O-]
InChI
InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)
InChIKey
KUEFXPHXHHANKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitro-1,2,4-triazole
CAS: 24807-55-4
CID: 90614
Formula: C2H2N4O2
MW: 114.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.06
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass114.01777532
Monoisotopic Mass114.01777532
Topological Polar Surface Area87.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.7
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
FN26242-013-Nitro-1,2,4-triazole
1615164-Nitro-1,2,3-triazole
OR4862-013-Nitro-1H-1,2,4-triazole
OR1011624-014-Nitro-2H-1,2,3-triazole
291085-011- (4-Toluenesulfonyl) -3-nitro-1,2,4-triazole
263591-013-Bromo-5-nitro-1,2,4-triazole
232082-013-Nitro-1H-1,2,4-triazole 99+%
RG-A261754-011-Nitro-1H-1,2,4-Triazole
OR80449-011- (Mesitylsulfonyl) -3-nitro-1H-1,2,4-triazole
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