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Home> Hot Product Listed 7   > 7-Benzothiazolesulfonic acid,2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1...
1829-00-1 structure

7-Benzothiazolesulfonic acid,2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2)

Iupac Name:disodium;6-methyl-2-[4-[2-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]iminohydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonate
CAS No.:1829-00-1
EINECS(EC#): 217-377-4
Molecular Weight:695.709
Molecular Formula:C28H19N5Na2O6S4 (isomer)
Names and Identifiers
Synonyms

6761AF 6-methyl-2-[4-({[4-(6-methyl-7-sulfobenzothiazol-2-yl)phenyl]diazenyl}amino)ph enyl]benzothiazole-7-sulfonic acid, sodium salt, sodium salt 7-benzothiazolesulfonic acid, 2,2'-(1-triazene-1,3-diyldi- 4,1-phenylene)bis[6-methyl-, disodium salt 7-benzothiazolesulfonic acid, 2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis(6-methyl-, disodium salt 7-benzothiazolesulfonic acid, 2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis(6-methyl-, sodium salt (1:2) 7-benzothiazolesulfonic acid, 2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis[6-methyl-, disodium salt 7-benzothiazolesulfonic acid, 2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2) 7-benzothiazolesulfonic acid, 2,2\\\\'-(1-triazene-1,3-diyldi- 4,1-phenylene)bis[6-methyl-, disodium salt 7-Benzothiazolesulfonicacid, 2,2'-(1-triazene-1,3-diyldi-4,1-phenylene)bis[6-methyl-, disodium salt(9CI) 7-benzothiazolesulfonicacid,2,2 inverted exclamation mark -(1-triazene-1,3-diyldi-4,1-phenylene)bis(6-m 7-benzothiazolesulfonicacid,2,2 inverted exclamation mark -(1-triazene-1,3-diyldi-4,1-phenylene)bis(6-methyl-,disodiumsalt AC1L2JGZ AC1Q1UUS Adiaphtamine brilliant Yellow 6gs AKOS015903274 AKOS024319594 AN-22180 atlantic brilliant yellow mn benzo yellow tz c. i. direct yellow 9 c.i. 19540 c.i. direct yellow 9 C.I. Direct Yellow 9 (7CI) c.i. direct yellow 9, disodium salt c.i. direct yellow 9, disodium salt (8ci) C.I.19540 c28h19n5o6s4.2na chlorazol yellow 2g chlorazol yellow dp ci 19540 ci no 19540 clayton yellow Clayton Yellow (6CI) clayton(r) yellow Da Dan yellow solution diaphtamine brilliant yellow 6gs Diaphtamine Brilliant Yellow6GS diazamine golden yellow t diazol yellow j dipotassium 6-methyl-2-(4-{3-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]triaz-2-en-1-yl}phenyl)-1,3-benzothiazole-7-sulfonate direct yellow 9 direct yellow mtz direct yellow tz DirectYellow TZ disodium 2,2'-(1-triazene-1,3-diyldi-p-phenylene)bis(6-methylbenzothiazole-7-sulphonate) disodium 6-methyl-2-(4-{3-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]triaz-1-en-1-yl}phenyl)-1,3-benzothiazole-7-sulfonate disodium 6-methyl-2-(4-{3-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]triaz-2-en-1-yl}phenyl)-1,3-benzothiazole-7-sulfonate disodium 6-methyl-2-[4-[2-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]iminohydrazino]phenyl]-1,3-benzothiazole-7-sulfonate disodium 6-methyl-2-[4-[2-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]iminohydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonate DTXSID5062005 einecs 217-377-4 Ferro 42-145A FT-0633869 HE020861 HE319983 hispamin pure yellow t2g I14-18473 J-011703 labotest-bb lt00847629 LS-40825 mfcd00013091 mimosa z nsc 47741 nsc 5059 peeramine bright yellow mn Peeramine BrightYellow MN pontamine pure yellow pontamine pure yellow mn SBB058281 SCHEMBL128891 ST51016157 Thiazol Byellow G thiazol yellow thiazol yellow g thiazol yellow ggm thiazol yellow r thiazol yellow z Thiazole Y thiazole yellow thiazole yellow g thiazole yellow g (c.i. 19540) thiazole yellow g, for microscopy (fluorescence indicator), adsorption indicator Thiazole Yellow GGM titan yellow Titan yellow (C.I. 19540) indicator Reag. Ph Eur titan yellow dye titan yellow g Titan Yellow, indicator, indicator TitanYellow unii-xl4t724piz XL4T724PIZ

Inchi
InChI=1S/C28H21N5O6S4.2Na/c1-15-3-13-21-23(25(15)42(34,35)36)40-27(29-21)17-5-9-19(10-6-17)31-33-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)41-28)43(37,38)39;;/h3-14H,1-2H3,(H,31,32)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2
InChkey
CZIRZNRQHFVCDZ-UHFFFAOYSA-L
Canonical Smiles
CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=NC4=CC=C(C=C4)C5=NC6=C(S5)C(=C(C=C6)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Properties
Appearance
orange-yellow crystals or powder
Melting Point
>250°C
Solubility
29g/l
Stability
Light sensitive. Incompatible with strong oxidants.
HS Code
32129000
Safety and Handling
Hazard Codes
Xn
Risk Statements
R20/21/22
Safety Statements
S24/25
Safety

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx
Hazard Codes:
HarmfulXn
Risk Statements:
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: DL6423000
F:
F 8: Photosensitive.

Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 24, 1953.

 

Specification

 C.I. Direct Yellow 9, Disodium Salt (CAS NO.1829-00-1) is a orange-yellow crystals or powder.
First Aid Measures:
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 
Handling and Storage:
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.

Report

Reported in EPA TSCA Inventory.

Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:695.709g/mol
  • Molecular Formula:C28H19N5Na2O6S4
  • Compound Is Canonicalized:True
  • Exact Mass:695.001
  • Monoisotopic Mass:695.001
  • Complexity:1190
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:13
  • Topological Polar Surface Area:250A^2
  • Heavy Atom Count:45
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADceB7uDBwAAAAAAAAAAAAAAAAAWLAAAAwYMGAAAAAAFgB/gAAHAQYAAAADAiBXgAywbJqEAqm AyRiRHDD9OBhCjgYmDQwZJgIIKLgkZGEIAxgkADoyAcQgAAOCAAAgCAEAwAQAAEAQAgGAAAAAAAA AA==
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