Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate

Basic Information

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CAS Number

3520-42-1

Molecular Formula

C27H29N2NaO7S2

Molecular Weight

581.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>350°C

Boiling Point

No data available

Flash Point

No data available

Solubility

methanol: 1 mg/mL

Vapor Pressure

No data available

SMILES

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CCN(c1ccc2c(c1)[o+]c1c(c2c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)O)ccc(c1)N(CC)CC)CC.[Na+]

InChI

InChI=1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1

InChIKey

SXQCTESRRZBPHJ-UHFFFAOYSA-M

LogP

7.81310

Complexity

1230

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Kiton Red S
sulforhodamine B monosodium salt
sulforhodamine B cell culture tested
sulforhodamine B
Acid Red 52
Food Red No. 106
ACID RED 52 SOLUTION 200ML INPLASTIC BOTTLE, LONG-TIP CAP
Lissamine rhodamine B
Sulforhodamine B Sodium Salt
SULFORHODAMINE B, WATER SOLUABLE (C.I. 45100)
4'-Butoxy-3-piperidinopropiophenone hydrochloride
Acid Red 52,Sulforhodamine B monosodium salt
Dyclocaine hydrochloride
Dyclone
Dyclonine HCL
dyclonine hydrochloride
Dyclothane
dye acid red 52
Kiton Red 620
N,N,N',N'-tetraethylsulforhodamine
rhodamine 200 S sodium salt
Sulforhodamine-B
Tanaclone
Acid Red
Xylene Red
Acid rhodamine B
C.I. Acid red 52
acid leather red kb
Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium sodium salt
acid red 52
Acid Red 52

MDL Number

MFCD00010180

Customs Code

3204120000

FAQ

What are the physical and chemical properties of Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate (CAS: 3520-42-1)?

Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate (CAS: 3520-42-1) is a crystalline compound with a high molecular weight and moderate solubility in water. It has good stability in neutral and slightly acidic solutions but is less stable in highly acidic or basic media. It exhibits significant reactivity with certain functional groups, making it useful in various chemical transformations.

How is Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate (CAS: 3520-42-1) typically synthesized?

Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate is synthesized through a multi-step process involving the condensation of xanthenyl derivatives with benzenedisulfonic acid. Commonly, this involves the use of concentrated sulfuric acid as a catalyst to enhance the reaction yield. The process is highly selective, with a yield of about 85% under optimal conditions.

What industries use Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate (CAS: 3520-42-1)?

Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate (CAS: 3520-42-1) is widely used in the pharmaceutical, polymer, and semiconductor industries. It serves as a functional component in drug development, acts as a sensitizing dye in polymer manufacturing, and is utilized in optical and electronic applications due to its unique optical properties.

What precautions should be taken when handling Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate (CAS: 3520-42-1)?

When handling Sodium 4-[3,6-bis(diethylamino)-9-xantheniumyl]-1,3-benzenedisulfonate (CAS: 3520-42-1), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a dry, well-ventilated area, and all handling should be performed in a fume hood to minimize exposure. In case of a spill, immediately clean up using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further instructions.