hydrogen [4-[(2-chlorophenyl)[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt (CAS 4857-81-2) — formula C37H36ClN2O6S2+, molecular weight 704.3; category organic chemicals.
hydrogen [4-[(2-chlorophenyl)[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt is a carbon-based organic compound with CAS registry number 4857-81-2 and molecular formula C37H36ClN2O6S2+ (molecular weight 704.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4857-81-2
Its molecular formula C37H36ClN2O6S2+ comprises 37 C, 36 H, 1 Cl, 2 N, 6 O, 2 S atoms.
Also known as: hydrogen [4-[(2-chlorophenyl)[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt · Acid Green 6B
Category: organic chemicals
The CAS registry number of hydrogen [4-[(2-chlorophenyl)[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt is 4857-81-2.
Molecular formula C37H36ClN2O6S2+, molecular weight 704.3.
It is also registered under: hydrogen [4-[(2-chlorophenyl)[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt, Acid Green 6B.
Category: Organic Chemicals.
Public-database records for hydrogen [4-[(2-chlorophenyl)[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt (CAS 4857-81-2), reproduced here for independent cross-checking.
| CAS 号 | 4857-81-2 |
|---|---|
| PubChem CID | 407335 |
| 分子式 | C37H36ClN2O6S2+ |
| IUPAC 名称 | [4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium |
| UNII（FDA） | NS00013504 |
Eriogreen; ALIZARIN GREEN; Benzenemethanaminium,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt; SCHEMBL14960108; SCHEMBL29437734; DTXSID70863462; NSC4319; NSC8683; NSC51540; NS00013504; D88694
| 分子量 | 704.3 |
|---|---|
| XLogP3 | 6.7 |
| 氢键供体数 | 2 |
| 氢键受体数 | 7 |
| 可旋转键数 | 11 |
| 精确质量 | 703.1703319 |
| 单同位素质量 | 703.1703319 |
| 拓扑极性表面积 | 132 |
| 重原子数 | 48 |
| 形式电荷 | 1 |
茜素绿 · CAS 4857-81-2 · C37H36ClN2O6S2+. UNII NS00013504.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.