3,3'-Dinitrobenzidine - CAS 6271-79-0
Catalog: |
BB055893 |
Product Name: |
3,3'-Dinitrobenzidine |
CAS: |
6271-79-0 |
Synonyms: |
3,3'-Dinitro-[1,1'-biphenyl]-4,4'-diamine; NSC 37067 |
IUPAC Name: | 4-(4-amino-3-nitrophenyl)-2-nitroaniline |
Description: | Used for preparation of symmetrical bis-benzimidazole derivatives for inhibition of gastric acid secretion. |
Molecular Weight: | 274.23 |
Molecular Formula: | C12H10N4O4 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N |
InChI: | InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2 |
InChI Key: | OCEINMLGYDSKFW-UHFFFAOYSA-N |
Melting Point: | 279-280°C |
Solubility: | Acetone, DMSO |
Appearance: | Red Solid |
Storage: | Refrigerator |
References: | Green, L., et al. J. Immunol. Methods, 70, 257 (1984), Reddy, B., et al. Pharmacol. Ther., 84, 1 (1999), Jin, S., et al. Bioorg. Med. Chem. Lett., 10, 719 (2000), Mann, J., et al. J. Med. Chem., 44, 138 (2001),. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
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Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.07020481 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.07020481 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 144Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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