compound introduction
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3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid
Dangerous GoodsCAS number：3147-14-6 molecular formula：C17H14N2O5S
overview
Specs
| Chinese alias | 1-(1-羟基-4-甲基-2-苯偶氮)-2-萘酚-4-磺酸;3-羟基-4-[(2-羟基-5-甲基苯基)偶氮]-1-萘磺酸 | ||
| English alias | 3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid | CALMAGITE [MI] | 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-5-methylphenyl)azo]- | 3-Hydroxy-4-((6-hydroxy-m-tolyl)azo)-1-naphthalenesulfonic acid | 1-Naphthalenesulfon | ||
| CAS number | 3147-14-6 | molecular formula | C17H14N2O5S |
| molecular weight | 358.4 | Exact mass | 0.6%(w/v)in water |
| PSA | 128 | logp | 3.4 |
numbering system
| CAS | 3147-14-6 |
| UNII | 0A3KVV9HZC |
| HMDB ID | HMDB0249561 |
| ChEMBL ID | CHEMBL1980402 |
| NSC Number | NSC Number: NSC299391 |
| PubChem CID | 2530 |
| Nikkaji Number | J2.174A |
| DSSTox Substance ID | DTXSID8062866 |
| 生态与环境部编号 | _25Q1B3DTC |
| European Community (EC) Number | 221-563-0 |
| PubChem Reference Collection SID | 518159304 |
physicochemical properties
| XLogP3 | XLogP3-AA: 3.4 |
| 复杂性 | 590 |
| Exact Mass | 358.06234272 |
| 形式电荷 | 0 |
| 解离常数 | iupacpka |
| 重原子计数 | 25 |
| Molecular Weight | 358.4 |
| Monoisotopic Mass | 358.06234272 |
| 可旋转键计数 | 3 |
| 氢键供体计数 | 3 |
| 氢键受体计数 | 7 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 128 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
危害类别和分类：
特定靶器官毒性-单次接触-3级 (65.2%)
Production methods and uses
purpose
工业应用参考：
工业分类参考：橡胶和塑料制品业。
应用场景参考：适用于实验室研发、教学科研和技术验证场景，常用于新产品开发、方法建立和样品评估 。
作用参考：在科研材料体系中具备较强的组合应用潜力，价值往往取决于具体配方、纯度等级和工艺设计 。
选型提示：实际选型应结合产品定位、纯度要求、设备精细化程度和现场环境综合判断，不宜仅凭单一指标决定 。
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
3147-14-6 | Calmagite.pdf
