IUPAC Name: | 2-[(4-chlorophenyl)methyl]pyrazole-3,4-diaminesulfuric acid |
Description: | 1-[(4-Chlorophenyl)methyl]-1H-pyrazole-4,5-diamine is used as a reagent to synthesize Pyrazole (P842195), m-Aminophenol and Pyrimidine (P997330) derivatives, compounds that are used in hair dye formulations. |
Molecular Weight: | 320.75 |
Molecular Formula: | C10H13ClN4O4S |
Canonical SMILES: | C1=CC(=CC=C1CN2C(=C(C=N2)N)N)Cl.OS(=O)(=O)O |
InChI: | InChI=1S/C10H11ClN4.H2O4S/c11-8-3-1-7(2-4-8)6-15-10(13)9(12)5-14-151-5(2,3)4/h1-5H,6,12-13H2(H2,1,2,3,4) |
InChI Key: | IOKLBFFWDKOTAH-UHFFFAOYSA-N |
References: | Hoeffkes, H., et al. Hair Dye Intermediate Combinations Containing Derivatives of Pyrazole, m-Aminophenol and Pyrimidine. Ger. Offen. 102005055269. May 24, 2007. |
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