1.0 2010-04-08 22:09:38 UTC 2015-07-20 22:40:21 UTC FDB011422 C.I. Food Black 1 Colourant for foodstuffs, hair dyes, cosmetics and printing inks. Food use prohibited in USA, Canada, Japan, Norway and Finland 4-(Acetylamino)-5-hydroxy-6-[[7-sulfo-4-[(4-sulfophenyl)azo]-1-naphthalenyl]azo]-1,7-naphthalenedisulfonic acid, 9CI Black BN Black PN Blue black BN Brilliant acid black BN extra pure a Brilliant acid black bna export Brilliant black Brilliant black a Brilliant Black BN C.I. 28440 E151 Food Black 1 C28H21N5O14S4 779.751 778.996783165 4-acetamido-5-hydroxy-6-[(E)-2-{7-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-1,7-disulfonic acid 4-acetamido-5-hydroxy-6-[(E)-2-{7-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-1,7-disulfonic acid 2519-30-4 CC(=O)NC1=CC=C(C2=CC(=C(\N=N\C3=C4C=C(C=CC4=C(C=C3)\N=N\C3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O InChI=1S/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b31-30+,33-32+ RXERRVKLABZRCU-CJQWSLHQSA-N belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 2-naphthalene sulfonates Organic compounds Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives Aromatic homopolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonic acids and derivatives Acetamides Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Carbonyl compounds Hydrocarbon derivatives N-acetylarylamines Naphthols and derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Sulfonyls 1-hydroxy-4-unsubstituted benzenoid 1-naphthalene sulfonate 1-naphthalene sulfonic acid or derivatives 1-naphthol 1-sulfo,2-unsubstituted aromatic compound 2-naphthalene sulfonate 2-naphthalene sulfonic acid or derivatives Acetamide Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Benzenesulfonate Benzenesulfonyl group Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Monocyclic benzene moiety N-acetylarylamine N-arylamide 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 Secondary carboxylic acid amide Sulfonyl logp -0.55 ALOGPS logs -4.72 ALOGPS solubility 1.50e-02 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic -4.6 ChemAxon pka_strongest_basic -0.37 ChemAxon iupac 4-acetamido-5-hydroxy-6-[(E)-2-{7-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]naphthalene-1,7-disulfonic acid ChemAxon average_mass 779.751 ChemAxon mono_mass 778.996783165 ChemAxon smiles CC(=O)NC1=CC=C(C2=CC(=C(\N=N\C3=C4C=C(C=CC4=C(C=C3)\N=N\C3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O ChemAxon formula C28H21N5O14S4 ChemAxon inchi InChI=1S/C28H21N5O14S4/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b31-30+,33-32+ ChemAxon inchikey RXERRVKLABZRCU-CJQWSLHQSA-N ChemAxon polar_surface_area 316.25 ChemAxon refractivity 186.93 ChemAxon polarizability 73.93 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 18 ChemAxon donor_count 6 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 61528 Specdb::CMs 784831 Specdb::CMs 784832 Specdb::CMs 784833 Specdb::CMs 784834 Specdb::CMs 784835 Specdb::CMs 784836 Specdb::CMs 784837 Specdb::CMs 784838 Specdb::CMs 784839 Specdb::CMs 784840 Specdb::CMs 784841 Specdb::CMs 784842 Specdb::MsMs 103644 Specdb::MsMs 103645 Specdb::MsMs 103646 Specdb::MsMs 169743 Specdb::MsMs 169744 Specdb::MsMs 169745 Specdb::MsMs 2371019 Specdb::MsMs 2371020 Specdb::MsMs 2371021 Specdb::MsMs 2563845 Specdb::MsMs 2563846 Specdb::MsMs 2563847 Specdb::NmrOneD 119598 Specdb::NmrOneD 119599 Specdb::NmrOneD 119600 Specdb::NmrOneD 119601 Specdb::NmrOneD 119602 Specdb::NmrOneD 119603 Specdb::NmrOneD 119604 Specdb::NmrOneD 119605 Specdb::NmrOneD 119606 Specdb::NmrOneD 119607 Specdb::NmrOneD 119608 Specdb::NmrOneD 119609 Specdb::NmrOneD 119610 Specdb::NmrOneD 119611 Specdb::NmrOneD 119612 Specdb::NmrOneD 119613 Specdb::NmrOneD 119614 Specdb::NmrOneD 119615 Specdb::NmrOneD 119616 Specdb::NmrOneD 119617 HMDB33389 #<Reference:0x000055ce335c2608>