二甲酚橙（CAS 1611-35-4）：分子式 C31H32N2O13S、分子量 672.7。
| CAS号 | 1611-35-4 |
|---|---|
| 分子式 | C31H32N2O13S |
| 分子量 | 672.7 |
| LogP | -2.8 |
| 应用领域 | 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 |
登记用途：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。
二甲酚橙 是一种化工化合物，登记 CAS 号为 1611-35-4，分子式 C31H32N2O13S（分子量 672.7）。
登记 CAS 号：1611-35-4
其分子式 C31H32N2O13S 由 31 个碳、32 个氢、2 个氮、13 个氧、1 个硫 组成。
别名/同义词：二甲酚橙 · xylenol orange
二甲酚橙 的 CAS 登记号为 1611-35-4。
分子式 C31H32N2O13S，分子量 672.7。
别名/同义词：二甲酚橙、xylenol orange。
登记用途：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。
二甲酚橙（CAS 1611-35-4）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: xylenol orange