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Acid Green 9 (Technical Grade)

CAT: 0572-TRC-A189908-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A189908-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4857-81-2
Synonyms
Benzenemethanaminium, N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1- ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt; Benzenemethanaminium, N-[4-[(2-chlorophenyl)[4-[ethyl[(3- sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (9CI); Brilliant Milling Green B (6CI); C.I. Acid Green 9 (7CI); C.I. Acid Green 9, monosodium salt (8CI); 4-[[4-(N-Ethyl-m-sulfobenzylamino)phenyl](o-chlorophenyl)methylene]-1-(N-ethyl-Nm-sulfonium-benzyl-∆2,5-cyclohexadienimine)monosodium salt; Acid Brilliant Green 6B; Acid Brilliant Green B; Acid Green 5B; Acid Green 6B; Acid Green 9; Acid Green GB; Acid Leather Green KGB; Acilan Brilliant Green 6B; Airedale Green B; Aizen Acid Brilliant Green B; Aizen Brilliant Acid Green 6BH; Aizen Brilliant Acid Green 6BH Extra; Aizen Brilliant Milling Green B; Alizarin Green; Amacid Milling Green B; Bezanyl Green F 2B; Brilliant Acid Green 6B; Brilliant Acid Green B; Brilliant Milling Green; Brilliant Milling Green NS; Bucacid Fast Green B; C.I. 42100; Calcocid Milling Green 6B; Cetil Brilliant Green 6B; Colocid Green 6B; Dinacid Milling Green B; Disulphine Green B; Erio Viridine B; Eriogreen; Fast Acid Green B; Fenazo Green XG; Folan Green B; Hidacid Fast Green B; Indigo Green B; Kiton Green B; Leather Green 6B; Lerui Acid Brilliant Green 6B; Merantine Green B; Milling Brilliant Green B; Milling Green; Mitsui Acid Brilliant Milling Green BM 100; Mitsui Brilliant Milling Green BX; NSC 4319; NSC 51540; NSC 8683; Neptune Green SGXA; Night Green A; Sandolan Brilliant Green E-6B; Sumitomo Brilliant Milling Green B; Triacid Green 6B; Vicoacid Green 9; Xylene Fast Green 6B; Xylene Milling Green 6B
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCN(C1=CC=C(/C(C2=CC=CC=C2Cl)=C3C=C/C(C=C/3)=[N+](CC4=CC(S(=O)([O-])=O)=CC=C4)\CC)C=C1)CC5=CC(S(=O)(O[Na])=O)=CC=C5
Molecular Formula
C37H34ClN2NaO6S2
Molecular Weight
725.25
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Acid Green 9

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CAS Number4857-81-2
PubChem CID25021982
IUPAC Namesodium 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Molecular FormulaC37H34ClN2NaO6S2
Molecular Weight725.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count49
Formal Charge0
Complexity1300
SMILES
CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5Cl.[Na+]
InChI
InChI=1S/C37H35ClN2O6S2.Na/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46;/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46);/q;+1/p-1
InChIKey
SHBDDIJUSNNBLQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acid Green 9
CAS: 4857-81-2
CID: 25021982
Formula: C37H34ClN2NaO6S2
MW: 725.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight725.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass724.1444511
Monoisotopic Mass724.1444511
Topological Polar Surface Area137 Ų
Heavy Atom Count49
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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