Xylenol Orange
Buy Xylenol Orange (CAS 1611-35-4) from Zemixal: C31H32N2O13S, COA and SDS with every lot, worldwide shipping. Catalogue no. ZX-045094.
About Xylenol Orange
Xylenol Orange sits in our synthetic, Protecting & Derivatization Reagents section and ships worldwide from stock or short lead time. For your records, the material is defined by CAS 1611-35-4, formula C31H32N2O13S and molar mass 672.7 g/mol.
Use cases we see most often
- Organic synthesis
- Reaction development
- Medicinal chemistry
Safe handling
Classified under GHS with signal word Warning and hazard statements H315, H319 and H335. Read the SDS before first use.
Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.
Typical uses
- Organic synthesis
- Reaction development
- Medicinal chemistry
Applications
Specifications and identifiers
| Product name | Xylenol Orange |
|---|---|
| Catalogue number | ZX-045094 |
| CAS number | 1611-35-4 |
| IUPAC name | 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| Molecular formula | C31H32N2O13S |
| Molar mass | 672.7 g/mol |
| Exact mass | 672.1625 |
| XLogP3 | -2.8 |
| H-bond donors / acceptors | 6 / 15 |
| Topological polar surface area | 248 Ų |
| InChIKey | ORZHVTYKPFFVMG-UHFFFAOYSA-N |
| SMILES | CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O |
| PubChem CID | 73041 |
| Synonyms | m-Cresolphthalexon S, o-Cresolphthalexon S, cresol phthalexon s, 3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein, S,Sdioxide, mCresolphthalexon S, oCresolphthalexon S, S,Sdioxide (8CI), 3,3'Bis(N,Ndi(carboxymethyl)aminomethyl)cresolsulfonephthalein, Xylenol Orange disodium salt, Xylenol Orange tetrasodium salt, Xylenol orange, indicator |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 100 mg | Quoted on request | |
| 250 mg | Quoted on request | |
| 1 g | Quoted on request | |
| 5 g | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
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