4-Chloro-3-[4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]benzenesulfonic acid triethylammonium salt - CAS 143193-48-0
Catalog: |
BB009512 |
Product Name: |
4-Chloro-3-[4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]benzenesulfonic acid triethylammonium salt |
CAS: |
143193-48-0 |
Synonyms: |
4-chloro-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid;N,N-diethylethanamine |
IUPAC Name: | 4-chloro-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid;N,N-diethylethanamine |
Description: | 4-Chloro-3-[4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-2-pyrazolin-1-yl]benzenesulfonic acid triethylammonium salt (CAS# 143193-48-0 ) is a useful research chemical. |
Molecular Weight: | 520.06 |
Molecular Formula: | C25H32ClN4O4S |
Canonical SMILES: | CCN(CC)CC.CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)S(=O)(=O)O)Cl |
InChI: | InChI=1S/C19H18ClN3O4S.C6H15N/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20;1-4-7(5-2)6-3/h4-11H,1-3H3,(H,25,26,27);4-6H2,1-3H3/b16-10-; |
InChI Key: | GDMMFAHFEBIZNT-HYMQDMCPSA-N |
Boiling Point: | 674.6 °C at 760 mmHg |
Melting Point: | 194-197 °C(lit.) |
Purity: | 95 % |
LogP: | 5.38830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 792 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 520.1911044 |
Formal Charge: | 0 |
Heavy Atom Count: | 35 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 520.1911044 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 102 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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