1.0 2010-04-08 22:09:18 UTC 2015-07-20 22:35:32 UTC FDB010800 C.I. Acid Yellow 17 Yellow food colouring; no longer permitted in the EU, USA and Australia 2,5-Dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[4-sulfophenyl]azo]-1H-pyrazol-1-yl]benzenesulfonic acid, 9CI 6359-98-4 (di-hydrochloride salt) 6359-98-4 (DISODIUM SALT) Acid Leather Yellow 2GL Acid Yellow 17 C.I. 18965 C.I. Acid Yellow 17, (*Disodium salt*) C.I. Food Yellow 5 E 107 Yellow 2G C16H12Cl2N4O7S2 507.325 505.952445552 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]-1H-pyrazol-1-yl}benzene-1-sulfonic acid 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]pyrazol-1-yl}benzenesulfonic acid 25739-65-5 CC1=NN(C(O)=C1\N=N\C1=CC=C(C=C1)S(O)(=O)=O)C1=CC(Cl)=C(C=C1Cl)S(O)(=O)=O InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+ SWTAMHBAAIVEKW-FMQUCBEESA-N belongs to the class of organic compounds known as phenylpyrazoles. Phenylpyrazoles are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. Phenylpyrazoles Organic compounds Organoheterocyclic compounds Azoles Pyrazoles Aromatic heteromonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Aryl chlorides Azacyclic compounds Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Dichlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Sulfonyls 1,4-dichlorobenzene 1-sulfo,2-unsubstituted aromatic compound Aromatic heteromonocyclic compound Aryl chloride Aryl halide Arylsulfonic acid or derivatives Azacycle Azo compound Benzenesulfonate Benzenesulfonyl group Benzenoid Chlorobenzene Halobenzene Heteroaromatic compound 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 Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenylpyrazole Propargyl-type 1,3-dipolar organic compound Sulfonyl logp 0.42 ALOGPS logs -3.74 ALOGPS solubility 9.29e-02 g/l ALOGPS logp -0.99 ChemAxon pka_strongest_acidic -3.9 ChemAxon pka_strongest_basic 1.48 ChemAxon iupac 2,5-dichloro-4-{5-hydroxy-3-methyl-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]-1H-pyrazol-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=CC=C(C=C1)S(O)(=O)=O)C1=CC(Cl)=C(C=C1Cl)S(O)(=O)=O ChemAxon formula C16H12Cl2N4O7S2 ChemAxon inchi InChI=1S/C16H12Cl2N4O7S2/c1-8-15(20-19-9-2-4-10(5-3-9)30(24,25)26)16(23)22(21-8)13-6-12(18)14(7-11(13)17)31(27,28)29/h2-7,23H,1H3,(H,24,25,26)(H,27,28,29)/b20-19+ ChemAxon inchikey SWTAMHBAAIVEKW-FMQUCBEESA-N ChemAxon polar_surface_area 171.51 ChemAxon refractivity 115.42 ChemAxon polarizability 46.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11544 Specdb::CMs 42979 Specdb::MsMs 87444 Specdb::MsMs 87445 Specdb::MsMs 87446 Specdb::MsMs 149952 Specdb::MsMs 149953 Specdb::MsMs 149954 Specdb::MsMs 2726324 Specdb::MsMs 2726325 Specdb::MsMs 2726326 Specdb::MsMs 2979131 Specdb::MsMs 2979132 Specdb::MsMs 2979133 Specdb::NmrOneD 115458 Specdb::NmrOneD 115459 Specdb::NmrOneD 115460 Specdb::NmrOneD 115461 Specdb::NmrOneD 115462 Specdb::NmrOneD 115463 Specdb::NmrOneD 115464 Specdb::NmrOneD 115465 Specdb::NmrOneD 115466 Specdb::NmrOneD 115467 Specdb::NmrOneD 115468 Specdb::NmrOneD 115469 Specdb::NmrOneD 115470 Specdb::NmrOneD 115471 Specdb::NmrOneD 115472 Specdb::NmrOneD 115473 Specdb::NmrOneD 115474 Specdb::NmrOneD 115475 Specdb::NmrOneD 115476 Specdb::NmrOneD 115477 HMDB32824 #<Reference:0x000055ce319381b8>