3-Nitrophenylhydrazine hydrochloride - CAS 636-95-3
Catalog: |
BB032241 |
Product Name: |
3-Nitrophenylhydrazine hydrochloride |
CAS: |
636-95-3 |
Synonyms: |
(3-nitrophenyl)hydrazine;hydrochloride |
IUPAC Name: | (3-nitrophenyl)hydrazine;hydrochloride |
Description: | 3-Nitrophenylhydrazine Hydrochloride acts as a reagent in the preparation of isosteviol-fused pyrazolines and pyrazoles as potential anticancer agents, preparation of pyrazolobenzothiazines as inhibitors of hepatitis C virus replication. |
Molecular Weight: | 189.60 |
Molecular Formula: | C6H8ClN3O2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl |
InChI: | InChI=1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H |
InChI Key: | BKOYKMLGFFASBG-UHFFFAOYSA-N |
Boiling Point: | 317.5 ℃ at 760 mmHg |
Density: | 1.419 g/cm3 |
MDL: | MFCD00012939 |
LogP: | 2.97890 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0305042 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0305042 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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