1.0 2010-04-08 22:12:45 UTC 2015-07-20 23:34:14 UTC FDB016948 C.I. Pigment Yellow FDA approved colourant for food contact high density polyethylene and polypropylene resins 4,5-Dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonic acid, 9CI 4,5-Dichloro-2-[[5-hydroxy-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]benzenesulfonic acid Benzidine yellow ge Benzidine yellow GR Benzidine yellow GR (van) C.I. Pigment Yellow 13 C.I. Pigment Yellow 13 (7CI,8CI) C.I. Pigment Yellow 13 (VAN) C.I. Pigment Yellow 13 (VAN) (8CI) Dainichi Benzidine Yellow 2GR Diarylide yellow Elkon fast yellow GR Graphtol yellow RGS Helio fast yellow GRF Helio fast yellow GRN Hostaperm yellow GR Irgalite yellow baw Irgalite yellow bawx Irgaplast yellow irs Isol benzidine fast yellow GRX Isol benzidine fast yellow GRX spec Isol Benzidine Yellow GRX 2548 Isol diaryl yellow GRF Kromon yellow GXR Latexol fast yellow JR Light yellow JBR Lionol Yellow FG 1310 Monolite fast yellow GLV Monolite yellow GL Monolite yellow gla Permanent yellow GR Permanent Yellow GR01 Pigment Lightfast Yellow 2Z Pigment yellow 13 Pigment yellow MH Polymo yellow GR Recolite fast yellow BLF Recolite fast yellow BLT Rubber fast yellow gra Sanyo light fast benzidine yellow r Segnale light yellow GRX Sico Fast Yellow D 1355 Symuler fast yellow GRF Symuler fast yellow GRTF Tertropigment fast yellow VGR Tertropigment PGR Vulcan fast yellow GR Vulcan fast yellow gra Vulcan fast yellow GRN Vynamon yellow gre Vynamon yellow gres Yellow aamx Yellow Toner YB-5 Yellow Toner YB5 C16H12Cl2N4O7S2 507.325 505.952445552 4,5-dichloro-2-[(E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl]benzene-1-sulfonic acid 4,5-dichloro-2-[(E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazen-1-yl]benzenesulfonic acid 65212-84-2 CC1=NN(C(=O)C1\N=N\C1=C(C=C(Cl)C(Cl)=C1)S(O)(=O)=O)C1=CC(=CC=C1)S(O)(=O)=O InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+ UOJXCGAWGJWRNV-FMQUCBEESA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Aryl chlorides Azacyclic compounds Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Carbonyl compounds Dichlorobenzenes Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Pyrazolones Sulfonyls 1,2-dichlorobenzene 1-sulfo,2-unsubstituted aromatic compound Alpha-amino acid or derivatives Aromatic heteromonocyclic compound Aryl chloride Aryl halide Arylsulfonic acid or derivatives Azacycle Azo compound Benzenesulfonate Benzenesulfonyl group Benzenoid Carbonyl group Chlorobenzene Halobenzene Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrazoline Pyrazolinone Sulfonyl logp 0.36 ALOGPS logs -4.79 ALOGPS solubility 8.18e-03 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic -3.3 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac 4,5-dichloro-2-[(E)-2-[3-methyl-5-oxo-1-(3-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazen-1-yl]benzene-1-sulfonic acid ChemAxon average_mass 507.325 ChemAxon mono_mass 505.952445552 ChemAxon smiles CC1=NN(C(=O)C1\N=N\C1=C(C=C(Cl)C(Cl)=C1)S(O)(=O)=O)C1=CC(=CC=C1)S(O)(=O)=O ChemAxon formula C16H12Cl2N4O7S2 ChemAxon inchi InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+ ChemAxon inchikey UOJXCGAWGJWRNV-FMQUCBEESA-N ChemAxon polar_surface_area 166.13 ChemAxon refractivity 112.01 ChemAxon polarizability 45.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 23042 Specdb::NmrOneD 23043 Specdb::NmrOneD 23044 Specdb::NmrOneD 23045 Specdb::NmrOneD 23046 Specdb::NmrOneD 23047 Specdb::NmrOneD 23048 Specdb::NmrOneD 23049 Specdb::NmrOneD 23050 Specdb::NmrOneD 23051 Specdb::NmrOneD 23052 Specdb::NmrOneD 23053 Specdb::NmrOneD 23054 Specdb::NmrOneD 23055 Specdb::NmrOneD 23056 Specdb::NmrOneD 23057 Specdb::NmrOneD 23058 Specdb::NmrOneD 23059 Specdb::NmrOneD 23060 Specdb::NmrOneD 23061 Specdb::CMs 16878 Specdb::MsMs 106626 Specdb::MsMs 106627 Specdb::MsMs 106628 Specdb::MsMs 173430 Specdb::MsMs 173431 Specdb::MsMs 173432 Specdb::MsMs 2824795 Specdb::MsMs 2824796 Specdb::MsMs 2824797 Specdb::MsMs 2854258 Specdb::MsMs 2854259 Specdb::MsMs 2854260 HMDB37803 #<Reference:0x000055ce32c82ea8>