BRILLIANT BLACK PN

Relevant Data

Food Additives Approved by European Union:

  • Brilliant Black BN, Black PN [show]

General Information

Synonyms: BLACK PN, CI FOOD BLACK 1
Chemical Names: TETRASODIUM 4-ACETAMIDO-5-HYDROXY-6-[7-SULFONATO-4-(4-SULFONATOPHENYLAZO)-1-NAPHTHYLAZO] NAPHTHALENE-1,7-DISULFONATE
CAS number: 2519-30-4
INS:

151
Functional Class: Food Additives
COLOUR

From apps.who.int

Evaluations

Evaluation year: 2019
ADI: 0-1 mg/kg bw
Meeting: 87
Specs Code: R
Comments: The Committee concluded that the newly available information does not give reason to revise the previously established ADI of 0–1 mg/kg bw based on a short-term toxicity study in pigs.

From apps.who.int

GSFA Provisions for BRILLIANT BLACK PN

Number Food Category Max Level Notes
01.1.4

Flavoured fluid milk drinks

 150 mg/kg Note 52

From www.fao.org

Computed Descriptors

Download SDF
2D Structure
CID6321379
IUPAC Nametetrasodium;(6E)-4-acetamido-5-oxo-6-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-1,7-disulfonate
InChIInChI=1S/C28H21N5O14S4.4Na/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;;;;/h2-13,32H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4/b31-30?,33-27-;;;;
InChI KeyAGKKBBSOKGLVTM-YENKNCRGSA-J
Canonical SMILESCC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=NNC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Molecular FormulaC28H17N5Na4O14S4
WikipediaBrilliant Black BN

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight867.664
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count5
Complexity1850.0
CACTVS Substructure Key Fingerprint A A A D c e B 7 v D B w A A A A A A A A A A A A A A A A A A A A A A A w Y M G C A A A A A A D B V A A A H g Q Y A A A A D A y B 2 A A y w c L i A A K q A 6 V y U H D S B E A l A g A Y i B k g Z N g I I D r A l Z G E I Y h g n A D I y U c Y i I C O k A S A w A A W A A A g C Q G A A C w A A A A A A A A A A A = =
Topological Polar Surface Area358.0
Monoisotopic Mass866.925
Exact Mass866.925
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count55
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count5

From Pubchem

Taxonomic Classification

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassNaphthalene sulfonic acids and derivatives
Intermediate Tree NodesNaphthalene sulfonates
Direct Parent2-naphthalene sulfonates
Alternative Parents
Molecular FrameworkAromatic homopolycyclic compounds
Substituents2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - N-acetylarylamine - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - N-arylamide - Aryl ketone - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Acetamide - Vinylogous amide - Carboxamide group - Azo compound - Secondary carboxylic acid amide - Ketone - Organic 1,3-dipolar compound - Organic alkali metal salt - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Hydrazone - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound
DescriptionThis compound 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.

From ClassyFire