1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Base Information

• Chemical Name: 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
• CAS No.: 7277-87-4
• Deprecated CAS: 335149-63-8
• Molecular Formula: C14H12 N2 O7 S2
• Molecular Weight: 384.3843
• European Community (EC) Number: 230-692-1
• DSSTox Substance ID: DTXSID1064611
• Nikkaji Number: J26.389C
• Wikidata: Q72465602
• Mol file: 7277-87-4.mol

Synonyms:7277-87-4;Amino J pyrazolone;6-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)naphthalene-1,3-disulfonic acid;6-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)naphthalene-1,3-disulfonic acid;1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;6-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,3-disulfonic acid;EINECS 230-692-1;6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,3-disulphonic acid;ChemDiv1_017456;C14H12N2O7S2;DTXSID1064611;SCHEMBL13461208;HMS636J10;MFCD00044033;AKOS004912540;AC-4809;C14-H12-N2-O7-S2;LS-06366;CS-0455302;FT-0655591;W-104480;1-(5,7-Disulfo-2-naphthyl)-3-methyl-5(4H)-pyrazolone;1,3-Naphthalenedisulfonic acid, 6-(3-methyl-5-oxo-2-pyrazolin-1-yl)-;6-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-1,3-naphthalenedisulfonic acid;N-[3-(DIMETHYLAMINO)-2-(2-PROPENYLOXY)PHENYL]-N-ETHYLACETAMIDE

Chemical Property of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Chemical Property:

• Appearance/Colour: Off-White crystals
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 158.17000
• Density: 1.75 g/cm³
• LogP: 3.10800
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 384.00859307
• Heavy Atom Count: 25
• Complexity: 794

Purity/Quality:

99%, ^*data from raw suppliers

Amino-J-pyrazolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O