Light Green SF (CHEM016123)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-20 16:15:37 UTC
Update Date2016-11-09 01:15:20 UTC
Accession NumberCHEM016123
Identification
Common NameLight Green SF
ClassSmall Molecule
DescriptionAn organic sodium salt having 3-amino}phenyl)(4-sulfonatophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonate as the counterion. It is the standard dye in North American for staining collagen and is also used extensively in plant histology.
Contaminant Sources
  • IARC Carcinogens Group 3
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
a F Green no.2ChEBI
A.F. green no. 2ChEBI
Acid brilliant green SFChEBI
Acid greenChEBI
Acid green aChEBI
Acidal light green SFChEBI
Acilan green SFGChEBI
Amacid green gChEBI
C.I. 42095ChEBI
C.I. 670ChEBI
C.I. acid green 5ChEBI
C.I. acid green 5, disodium saltChEBI
C.I. FOOD green 2ChEBI
CCRIS 889ChEBI
D And C green no. 4ChEBI
D&C green no. 2ChEBI
Fast acid green NChEBI
FD And C green no. 2ChEBI
FD And C green no. 4ChEBI
Fenazo green 7gChEBI
FOOD Green 2ChEBI
Green no. 203ChEBI
Leather green SFChEBI
LichtgruenChEBI
Light greenChEBI
Light green 2GNChEBI
Light green CFChEBI
Light green FCF yellowishChEBI
Light green FSChEBI
Light green gChEBI
Light green lakeChEBI
Light green SChEBI
Light green SFChEBI
Light green sfaChEBI
Light green SFDChEBI
Light green yellowishChEBI
Light SF yellowish (biological stain)ChEBI
Lissamine green SFChEBI
Lissamine lake green SFChEBI
Merantine green SFChEBI
MY/68ChEBI
NSC 9619ChEBI
Pencil green SFChEBI
SulfO green JChEBI
Sumitomo light green SF yellowishChEBI
Wool brilliant green SFChEBI
SulphO green JGenerator
Light green SF yellowishChEBI
Chemical FormulaC37H34N2Na2O9S3
Average Molecular Mass792.848 g/mol
Monoisotopic Mass792.122 g/mol
CAS Registry Number5141-20-8
IUPAC Namedisodium 3-{[ethyl({4-[(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)(4-sulfonatophenyl)methyl]phenyl})amino]methyl}benzene-1-sulfonate
Traditional Namedisodium 3-{[ethyl({4-[(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)(4-sulfonatophenyl)methyl]phenyl})amino]methyl}benzenesulfonate
SMILES[Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O
InChI IdentifierInChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2
InChI KeyDGOBMKYRQHEFGQ-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylmethylamines
Direct ParentPhenylbenzamines
Alternative Parents
Substituents
  • Phenylbenzamine
  • Diphenylmethane
  • Benzenesulfonate
  • Arylsulfonic acid or derivatives
  • Benzenesulfonyl group
  • 1-sulfo,2-unsubstituted aromatic compound
  • Benzylamine
  • Tertiary aliphatic/aromatic amine
  • Aniline or substituted anilines
  • Dialkylarylamine
  • Aralkylamine
  • Azomethine
  • Secondary ketimine
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Organosulfonic acid
  • Sulfonyl
  • Tertiary amine
  • Organic alkali metal salt
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Organic nitrogen compound
  • Organosulfur compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic salt
  • Organic sodium salt
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility7.6e-05 g/LALOGPS
logP2.08ALOGPS
logP2.68ChemAxon
logS-7ALOGPS
pKa (Strongest Acidic)-2.3ChemAxon
pKa (Strongest Basic)3.52ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area177.85 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity218.8 m³·mol⁻¹ChemAxon
Polarizability77.05 ųChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-000l-1000019300-04b04153c907756291f3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0000001900-4d51bfe5f098087b53b7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000l-0000119300-13d1afb671f6ee91699aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01p9-0000009000-e6e60bcff14fa5906766Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0000000900-4bfed5a5a0688091a220Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0000000900-4bfed5a5a0688091a220Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0000000900-4bfed5a5a0688091a220Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB11183
HMDB IDHMDB0032282
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID87065
PubChem Compound ID21223
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available