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3,4-Dimethylpyrazole Phosphate

CAT: 0572-TRC-D478960-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D478960-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
202842-98-6
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cc1c[nH]nc1C.OP(=O)(O)O
Molecular Formula
C5 H8 N2 . H3 O4 P
Molecular Weight
194.13
InChI
InChI=1S/C5H8N2.H3O4P/c1-4-3-6-7-5(4)2;1-5(2,3)4/h3H,1-2H3,(H,6,7);(H3,1,2,3,4)
Additionnal Information
IUPAC name: 3,4-dimethyl-1H-pyrazole;phosphoric acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,4-Dimethylpyrazole phosphate

3,4-dimethyl-1H-pyrazole phosphate is a phosphate salt obtained by reacting 3,4-dimethyl-1H-pyrazole with one equivalent of phosphoric acid. It is a nitrification inhibitor and when used on crops, it prevents nitrogen loss from soil, increases nitrogen use efficiency, and boosts crop yields. It has a role as a nitrification inhibitor. It contains a 3,4-dimethyl-1H-pyrazole.

CAS Number202842-98-6
PubChem CID11446863
IUPAC Name4,5-dimethyl-1H-pyrazole;phosphoric acid
Molecular FormulaC5H11N2O4P
Molecular Weight194.13
Topological Polar Surface Area106
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity113
SMILES
CC1=C(NN=C1)C.OP(=O)(O)O
InChI
InChI=1S/C5H8N2.H3O4P/c1-4-3-6-7-5(4)2;1-5(2,3)4/h3H,1-2H3,(H,6,7);(H3,1,2,3,4)
InChIKey
LXKCHCXZBPLTAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethylpyrazole phosphate
CAS: 202842-98-6
CID: 11446863
Formula: C5H11N2O4P
MW: 194.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.13
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass194.04564383
Monoisotopic Mass194.04564383
Topological Polar Surface Area106 Ų
Heavy Atom Count12
Formal Charge0
Complexity113
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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