xylenol orange (CAS 1611-35-4) — formula C31H32N2O13S, molecular weight 672.7; category organic chemicals.
| CAS Number | 1611-35-4 |
|---|---|
| Molecular Formula | C31H32N2O13S |
| Molecular Weight | 672.7 |
| LogP | -2.8 |
| Applications | Uses: Metal indicators are organic compounds that form specifically colored metal ion complexes in aqueous media. These dye reactions can be employed for detection of the equivalence point in volumetry (complexometry), as well as for concentration determinations in colorimetry or photometry. [Ullmann] Xylenol orange is used for the complexometric determination of Bi, Ca, Cd, Co, Cu, Fe, Hg, In, lanthanides, Mg, Mn, Pb, Sc, Th, Tl, U, V, Y, Zn and Zr. It is used for the photometric determination of Ag, Bi, Cr, Ga, La, Mo, Nb, Ni, Sn, Ti, Zn, and Zr. [Ullmann], General Manufacturing Information: Glycine, N, N'-[(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3, 1-phenylene)methylene]]bis[N-(carboxymethyl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Metal indicators are organic compounds that form specifically colored metal ion complexes in aqueous media. These dye reactions can be employed for detection of the equivalence point in volumetry (complexometry), as well as for concentration determinations in colorimetry or photometry. [Ullmann] Xylenol orange is used for the complexometric determination of Bi, Ca, Cd, Co, Cu, Fe, Hg, In, lanthanides, Mg, Mn, Pb, Sc, Th, Tl, U, V, Y, Zn and Zr. It is used for the photometric determination of Ag, Bi, Cr, Ga, La, Mo, Nb, Ni, Sn, Ti, Zn, and Zr. [Ullmann], General Manufacturing Information: Glycine, N, N'-[(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3, 1-phenylene)methylene]]bis[N-(carboxymethyl)-: ACTIVE.
xylenol orange is a carbon-based organic compound with CAS registry number 1611-35-4 and molecular formula C31H32N2O13S (molecular weight 672.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1611-35-4
Its molecular formula C31H32N2O13S comprises 31 C, 32 H, 2 N, 13 O, 1 S atoms.
Also known as: xylenol orange · 二甲酚橙
Category: organic chemicals
The CAS registry number of xylenol orange is 1611-35-4.
Molecular formula C31H32N2O13S, molecular weight 672.7.
It is also registered under: xylenol orange, 二甲酚橙.
Recorded applications: Uses: Metal indicators are organic compounds that form specifically colored metal ion complexes in aqueous media. These dye reactions can be employed for detection of the equivalence point in volumetry (complexometry), as well as for concentration determinations in colorimetry or photometry. [Ullmann] Xylenol orange is used for the complexometric determination of Bi, Ca, Cd, Co, Cu, Fe, Hg, In, lanthanides, Mg, Mn, Pb, Sc, Th, Tl, U, V, Y, Zn and Zr. It is used for the photometric determination of Ag, Bi, Cr, Ga, La, Mo, Nb, Ni, Sn, Ti, Zn, and Zr. [Ullmann], General Manufacturing Information: Glycine, N, N'-[(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3, 1-phenylene)methylene]]bis[N-(carboxymethyl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for xylenol orange (CAS 1611-35-4), compiled from public chemistry databases.
| CAS Registry Number | 1611-35-4 |
|---|---|
| PubChem CID | 73041 |
| Molecular formula | C31H32N2O13S |
| IUPAC name | 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| UNII (FDA) | S2VDY878QD |
| Molecular Weight | 672.7 |
|---|---|
| XLogP3 | -2.8 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 14 |
| Exact Mass | 672.16251025 |
| Monoisotopic Mass | 672.16251025 |
| Topological Polar Surface Area | 248 |
| Heavy Atom Count | 47 |
Xylenol orange; m-Cresolphthalexon S; o-Cresolphthalexon S; cresol phthalexon s; UNII-S2VDY878QD; S2VDY878QD; NSC-324982; EINECS 216-553-8; NSC 324982; XYLENOL ORANGE [MI]; DTXSID1061819; 3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein; PHENOLSULFONEPHTHALEIN, 3',3''-BIS((BIS(CARBOXYMETHYL)AMINO)METHYL)-5',5''-DIMETHYL-; S,Sdioxide; mCresolphthalexon S; oCresolphthalexon S
| GHS notification summary | 66.7% (2 / 3) |
|---|
| GHS notification summary | 66.7% (2 / 3) |
|---|---|
| Reported hazard statements | H315 (33.3%), H319 (33.3%), H335 (33.3%) |
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
xylenol orange · CAS 1611-35-4 · C31H32N2O13S. UNII S2VDY878QD.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 二甲酚橙