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3087-16-9

Basic Information
CAS No.: 3087-16-9
Name: Acid Green 50
Molecular Structure:
Molecular Structure of 3087-16-9 (Acid Green 50)
Formula: C27H26 N2 O7 S2 . Na
Molecular Weight: 577.66
Synonyms: C.I. AcidGreen 50 (7CI);C.I. Acid Green 50, monosodium salt (8CI);Lissamine Green BN(6CI);Methanaminium,N-[4-[[4-(dimethylamino)phenyl](2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,hydroxide, inner salt, monosodium salt;Methanaminium,N-[4-[[4-(dimethylamino)phenyl](2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, monosodium salt (9CI);12078 Green;Acid Brilliant Green BS;AcidGreen 50;Acid Green BS;Acid Green RS;Acid Leather Green S;Acidal Wool GreenBS;Acilan Green BS;Amacid Wool Green S;Ariavit Green S;Brilliant Acid GreenBS;Bucacid Wool Green;C.I. 44090;C.I. Food Green 4;Calcocid Green S;Calcocid Green SB;Dycosacid Green BS;E 142;Edicol Supra Green B;EdicolSupra Green BS;Erio Green S;Eurocert Green S 312524;Green H 002;Green S;Hexacol Green S;Hidacid Wool Green;Kiton Green S;Lissamine Green B;Naphthazine Green S;Pharmacid Green S;Sumitomo Wool Green S;UnitertracidGreen BS;Vondacid Green S;Water Green 176558;Water Green SX;Wool Green BS;Wool Green BSNA;Wool Green MS;Wool Green S;Wool Green SF;Wool Green SG;ACID GREEN 50;
EINECS: 221-409-2
Density: 0.541[at 20℃]
Solubility: 492.554g/L at 28℃
Appearance: solid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 36/37/39
PSA: 157.64000
LogP: 5.22220
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Chemistry

Product Name: Acid green 50 (CAS NO.3087-16-9)


Molecular Formula: C27H25N2NaO7S2
Molecular Weight: 576.62g/mol
Mol File: 3087-16-9.mol
EINECS: 221-409-2
Stability: Incompatible with strong oxidizing agents
H-Bond Donor: 1
H-Bond Acceptor: 8
Product Categories: Dyes and Pigments
IUPAC Name: sodium4-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-hydroxynaphthalene-2,7-disulfonate
Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)
(=O)[O-])S(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-
18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,
35)36;/h5-16H,1-4H3,(H2,31,32,33,34,35,36);/q;+1/p-1 
InChIKey: WDPIZEKLJKBSOZ-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

mrc-smc 2840 µmol/L

    FCTXAV    Food and Cosmetics Toxicology. 19 (1981),419.
2.    

mma-sat 1 mg/plate

    MUREAV    Mutation Research. 89 (1981),21.
3.    

mrc-smc 2840 µmol/L

    FCTXAV    Food and Cosmetics Toxicology. 19 (1981),419.
4.    

orl-rat LD50:2 g/kg

    JPPMAB    Journal of Pharmacy and Pharmacology. 16 (1964),65.

Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of Na2O, SOx and NOx.
Safety Information of Acid green 50 (CAS NO.3087-16-9):
Hazard Codes: XnHarmful
Risk Statements: 22-36/37/38 
22:  Harmful if swallowed
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 36/37/39
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
39:  Wear eye/face protection
WGK Germany: 3
RTECS: BQ1150000

Specification

Acid green 50 , its CAS NO. is 3087-16-9, the synonyms are 12078 Green ; Acid Brilliant Green BS ; Acid Leather Green S ; Acidal Wool Green BS ; Acilan Green BS ; Amacid Wool Green S ; Brilliantsaeure gruen BS ; Bucacid Wool Green ; C.I. Acid Green 50, monosodium salt ; CCRIS 1908 ; Calcocid Green S ; EINECS 221-409-2 ; Edicol Supra Green BS ; Green 5 ; Hexacol Green S ; Hidacid Wool Green ; Kiton Green S ; Lissamine Green B ; Naphthazine Green S ; Pharmacid Green S ; Pontacyl Green Son and S ; Schultz Nr. 836 ; Sumitomo Wool Green S ; Unitertracid Green BS ; Vert acide brilliant BS ; Vondacid Green S ; Water Green SX ; Zelen kysela BS ; Ammonium, (4-(p-(dimethylamino)-alpha-(2-hydroxy-3,6-disulfo-1-naphthyl)benzylidene)-2,5-cyclohexadien-1-ylidene)dimethyl-, hydroxide, inner salt, sodium salt ; Brilliant Acid Green BS ; C.I. Acid Green 50, monosodium salt (8CI)  Hydrogen (4-(4-(dimethylamino)-alpha-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, monosodium salt ; Methanaminium, N-(4-((4-(dimethylamino)phenyl)(2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydroxide, inner salt, monosodium salt (9CI) ; Methanaminium, N-(4-((4-(dimethylamino)phenyl)(2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, sodium salt (1:1) ; N-(4-((4-(Dimethylamino)phenyl)(2-hydroxy-3,6-disulfo-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methylmethanaminium, hydroxide, inner salt, monosodium salt .