1.0 2010-04-08 22:09:20 UTC 2018-05-28 23:29:02 UTC FDB010868 Orange I Formerly used as a food colouring; now banned by the FDA. α-naphthol orange 1333 Orange 4-(4-Sulfophenylazo)-1-naphthol 4-(p-Sulfophenylazo)-1-naphthol, monosodium salt 4-(p-Sulfophenylazo)-1-naphthol, sodium salt 4-[(4-Hydroxy-1-naphthalenyl)azo]benzenesulfonic acid, 9CI 4-p-Sulfophenylazo-1-naphthol monosodium salt a-Naphthol orange A.F. Orange No. 1 Acid ine CL Acid leather orange I Acid Orange 20 Acid orange I Acid phosphine CL Aizen Food Orange No. 1 Aizen naphthol orange I Aizen orange I alpha -Naphthol orange C.I. 14600 C.I. Acid Orange 20 C.I. Acid Orange 20, monosodium salt Certiqual orange I D & C Orange No. 3 Dye orange No. 1 Egacid orange GG Elgacid Orange 2G Eniacid orange I Ext. D and C Orange No. 3 External D and C Orange No. 3 Extract D and C Orange No. 3 Extract D and C Orange Number 3 F. D. C Orange 1 FD And C Orange No. 1 FDC orange I Hispacid Orange 1 Java orange I Nankai acid orange I Naphthalene orange I Naphthol orange Neklacid Orange 1 Orange 1 sodium salt Orange I extra conc. a export Orange I, sodium salt Orange im Orange s Sodium azo-α-naphtholsulfanilate Sodium azo-alpha -naphtholsulfanilate Tertracid orange I Tropaeolin 000 Tropaeolin 1 Tropaeolin g Tropaeolin OOO no. 1 Tropeolin 000-1 C16H12N2O4S 328.342 328.051777572 4-[(Z)-2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonic acid 4-[(Z)-2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzenesulfonic acid 523-44-4 OC1=CC=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C12 InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17- PURJGKXXWJKIQR-ZCXUNETKSA-N belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. Naphthols and derivatives Organic compounds Benzenoids Naphthalenes Naphthols and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Sulfonyls 1-hydroxy-2-unsubstituted benzenoid 1-naphthol 1-sulfo,2-unsubstituted aromatic compound Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Propargyl-type 1,3-dipolar organic compound Sulfonyl logp 1.92 ALOGPS logs -4.09 ALOGPS solubility 2.70e-02 g/l ALOGPS logp 2.33 ChemAxon pka_strongest_acidic -2.6 ChemAxon pka_strongest_basic 0.19 ChemAxon iupac 4-[(Z)-2-(4-hydroxynaphthalen-1-yl)diazen-1-yl]benzene-1-sulfonic acid ChemAxon average_mass 328.342 ChemAxon mono_mass 328.051777572 ChemAxon smiles OC1=CC=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C12 ChemAxon formula C16H12N2O4S ChemAxon inchi InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17- ChemAxon inchikey PURJGKXXWJKIQR-ZCXUNETKSA-N ChemAxon polar_surface_area 99.32 ChemAxon refractivity 89.43 ChemAxon polarizability 32.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20606 Specdb::CMs 43010 Specdb::CMs 146069 Specdb::MsMs 311902 Specdb::MsMs 311903 Specdb::MsMs 311904 Specdb::MsMs 357010 Specdb::MsMs 357011 Specdb::MsMs 357012 Specdb::MsMs 2829001 Specdb::MsMs 2829002 Specdb::MsMs 2829003 Specdb::MsMs 2853442 Specdb::MsMs 2853443 Specdb::MsMs 2853444 HMDB32886 #<Reference:0x000055ce324d7c80>