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CAS No.: | 1126-58-5 |
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Name: | GIRARD'S REAGENT P |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H10N3O.Cl |
Molecular Weight: | 187.629 |
Synonyms: | 1-(Carboxymethyl)pyridiniumchloride, hydrazide (6CI,7CI);Pyridinium, 1-(2-hydrazino-2-oxoethyl)-,chloride (9CI);Pyridinium, 1-(carboxymethyl)-, chloride, hydrazide (8CI);1-(2-Hydrazino-2-oxoethyl)pyridinium chloride;Girard-P reagent;Girard's Preagent;Pyridinioacetohydrazide chloride;Reagents, Girard's P; |
EINECS: | 214-421-4 |
Melting Point: | 201-203 °C |
Appearance: | Clear brown-yellow to brown-red liquid |
Risk Codes: | 36/38 |
Safety: | 26-36/37/39 |
PSA: | 59.00000 |
LogP: | -2.94080 |
The cas register number of Girard's Reagent P is 1126-58-5. It also can be called as Pyridinium, 1-(2-hydrazino-2-oxoethyl)-, chloride and the Systematic name about this chemical is 2-pyridin-1-ium-1-ylacetohydrazide chloride.
Physical properties about Girard's Reagent P are: (1)ACD/LogP: -5.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.31; (4)ACD/LogD (pH 7.4): -5.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.43Å2.
Uses of Girard's Reagent P: 1-hydrazinocarbonylmethyl-pyridinium and 4-nitro-benzaldehyde reacts with diazomethane to get 1-[(4-nitro-benzylidenehydrazinocarbonyl)-methyl]-pyridinium. This reaction needs solvent ethanol. The yield is 67 %.
People can use the following data to convert to the molecule structure.
1.SMILES: [Cl-].O=C(NN)C[n+]1ccccc1
2.InChI: InChI=1/C7H9N3O.ClH/c8-9-7(11)6-10-4-2-1-3-5-10;/h1-5H,6,8H2;1H
3.InChIKey: NDXLVXDHVHWYFR-UHFFFAOYAV
4.Std. InChI: InChI=1S/C7H9N3O.ClH/c8-9-7(11)6-10-4-2-1-3-5-10;/h1-5H,6,8H2;1H