3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid

Basic Information

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CAS Number

6539-67-9

Molecular Formula

C21H17ClN8O7S2

Molecular Weight

593 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>330°C

Density

1.81

Refractive Index

1.794

SMILES

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CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O

InChI

InChI=1S/C21H17ClN8O7S2/c1-10(31)24-16-8-11(25-21-27-19(22)26-20(23)28-21)5-6-15(16)30-29-12-7-14-13(18(9-12)39(35,36)37)3-2-4-17(14)38(32,33)34/h2-9H,1H3,(H,24,31)(H,32,33,34)(H,35,36,37)(H3,23,25,26,27,28)/b30-29+

InChIKey

ASDREVVGQFYRTH-QVIHXGFCSA-N

LogP

3.8712000000000018

Topological Polar Surface Area

239.28 Å²

Hydrogen Bond Donor/Acceptor

6 / 15

Complexity

1120

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Reactive Yellow 3
1,5-Naphthalenedisulfonic acid, 3-((2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)-
1,5-Naphthalenedisulfonic acid,3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-
C.I. Reactive Yellow 3
3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
1,5-Naphthalenedisulfonic acid, 3-(2-(2-(acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-
3-((2-(Acetylamino)-4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,5-disulphonic acid
NS00021320
SCHEMBL3644496
DTXSID1064407
MFCD00800437
EINECS 229-453-4
3-((4-(4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-acetylamino)phenylazo-1,5-naphthalenedisulfonic acid
1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-
AKOS025310819
6539-67-9
C.I.REACTIVE YELLOW 3
Chemictive Yellow RH
Cibacron Yellow FR-A
Helaktyn Yellow D-GRE
Intracron Yellow FR-A
Ostazin Yellow H-A
Procion Yellow HAS
Triacion Yellow H-A
Reactive yellow K-RN
C.I.Reactive Yellow 3(13254)
Procion Yellow H-A
Reactive Yellow K-R
3-[2-[2-(Acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-1,5-naphthalenedisulfonic acid
C.I. Reactive yellow 3
triazin-2-yl)amino]phenyl]azo]-

MDL Number

MFCD00800437

FAQ

What is 3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid (CAS: 6539-67-9)?

3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid is a complex chemical compound with a unique structure. It is composed of a naphthalene core with diazenyl, acetamido, and sulfo groups, and features a triazine ring with a chlorine atom. This compound is known for its stability and specific reactivity in various applications.

What are the main uses of 3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid (CAS: 6539-67-9)?

3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid is primarily used in pharmaceuticals for its specific chemical properties, in research for labeling and detection purposes, and in the dye industry for its colorimetric and spectroscopic applications.

Is 3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid (CAS: 6539-67-9) safe?

Safety of 3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid depends on proper handling and storage. It is important to follow safety guidelines, wear appropriate personal protective equipment, and avoid skin contact and inhalation. This compound should not be ingested and should be stored in a sealed container to prevent degradation.

How should 3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid (CAS: 6539-67-9) be stored?

Storage of 3-[(E)-{2-Acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-1,5-naphthalenedisulfonic acid should be at a temperature below 25°C, with low humidity and in the dark to prevent photodegradation. Store in a tightly sealed container to protect from moisture and air. Keep away from heat sources and incompatible materials such as strong acids and oxidizers.