YELLOW 2G
General Information
| Synonyms: | CI ACID YELLOW 17, CI FOOD YELLOW 5 |
| Chemical Names: | DISODIUM SALT OF 2,5-DICHLORO-4-[5-HYDROXY-3-METHYL-4-(4-SULFOPHENYLAZO)-PYRAZOL-1-YL]BENZENESULFONIC ACID |
| CAS number: | 6359-98-4 |
| INS: | 107 |
| Functional Class: |
Food Additives COLOUR |
From apps.who.int
Evaluations
| Evaluation year: | 1979 |
| ADI: | NO ADI ALLOCATED |
| Meeting: | 28 |
| Specs Code: | W |
| Report: | TRS 648-JECFA 23/14 |
| Tox Monograph: | FAS 12-JECFA 21/113 (1977) |
| Specification: | WITHDRAWN (1984) |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 22842 |
| IUPAC Name | disodium;2,5-dichloro-4-[3-methyl-5-oxo-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazol-1-yl]benzenesulfonate |
| InChI | InChI=1S/C16H12Cl2N4O7S2.2Na/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;;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2 |
| InChI Key | FTZLWXQKVFFWLY-UHFFFAOYSA-L |
| Canonical SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+] |
| Molecular Formula | C16H10Cl2N4Na2O7S2 |
| Wikipedia | Yellow 2G |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 551.277 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Complexity | 942.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B 7 u D B m A A A A A A A A A A A A A A A A A Q A A A A A w Y A A A A A A A A A A B Q A A A H g Y I A A A A C C r B 0 C Q y w Y I A A A K q A S V y U H D S B E A h B w A a i B m w Z o g I Y D L B k 5 H U I A h g j A D I y A c Q A A A A A A Q Q A B I A A J A A C C A A J A A B I A A A A A A A A A = = |
| Topological Polar Surface Area | 189.0 |
| Monoisotopic Mass | 549.916 |
| Exact Mass | 549.916 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents |
|
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic metal halide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Organic oxygen compound - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Organic sodium salt - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound 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. |
From ClassyFire