3,3′,5,5′‐テトラメチルベンジジン二塩酸塩水和物
3,3′,5,5′‐テトラメチルベンジジン二塩酸塩水和物 · 3,3′,5,5′-テトラメチルベンジジン 二塩酸塩 水和物 · 3,3′,5,5′-Tetramethylbenzidine dihydrochloride hydrate · abs9123 · TMB-2HCL-2HO · TMB*2HCL*2H2O · TMB 2HC1.xH2O · TMB 2HCl.xH2O
識別子と物理属性
| CAS No. | 207738-08-7 |
|---|---|
| 分子式 | C16H24Cl2N2O |
| 平均分子量 | 331.3 g/mol |
| 単同位体質量 | 330.1265688 g/mol |
| SMILES | Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cl.Cl.O |
| InChIKey | KVCWTKDFVVSVSJ-UHFFFAOYSA-N |
| PubChem CID | 19083738 |
| EC No. | 688-511-0 |
| DTXSID | DTXSID10597911 |
| 現地名 | 3,3′,5,5′‐テトラメチルベンジジン二塩酸塩水和物 |
化学・物理的性質
| 極性表面積 | 53 |
|---|---|
| 水素結合供与体数 | 5 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 1 |
| 重原子数 | 21 |
| 形式電荷 | 0 |
| 複雑度 | 226 |
| 融点 | >300°C |
| 貯蔵条件 | 2-8°C |
| 溶解度 | DMSO (~1.7 mg/ml) および 1:300 DMSO:PBS (pH 7.2) (0.03 mg/ml) に可溶。 |
| 外観・状態 | Powder |
| 色 | Light brown to brown |
| InChI | InChI=1S/C16H20N2.ClH.H2O/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8H,17-18H2,1-4H31H1H2 |
| InChIKey | NYNRGZULARUZCC-UHFFFAOYSA-N |
| SMILES | CC1=C(C(C)=CC(C2C=C(C)C(N)=C(C)C=2)=C1)N.Cl.O |
| CAS データベース | 207738-08-7 |
化学的特性
Off-white fluffy powder
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | Yes |
| 税関コード | 29215900 |
| 危険文句（R） | 22 |
| 安全措置（S） | 22-24/25-25-24 |
| 危険等級 | Acute Tox. 4 OralAquatic Chronic 4Carc. 2 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
TMB is an aromatic amine that undergoes oxidation by the higher oxidation states of heme peroxidases (compounds I and II) thereby serving as a reducing co-substrate. One electron oxidation of TMB results in a radical cation that forms a charge-transfer complex with the unoxidized compound. This charge transfer complex absorbs at 652 nm (ε = 39,000). The completely oxidized form (diimine) absorbs at 450 nm (ε = 59,000) and is formed by two sequential one-electron oxidations of TMB. Thus the stoichiometry of oxidation is 0.5 mole charge transfer complex (λmax = 652 nm) or 1 mole of diimine (λmax = 450 nm) formed (or TMB oxidized) per mole of hydroperoxide reduced by the peroxidase.
使用
3,3',5,5'-Tetramethylbenzidine dihydrochloride hydrate is a chromophore substrate in ELISA assays. It is a noncarcinogenic substitute for benzidine.
一般的な説明
3,3′,5,5′-Tetramethylbenzidine dihydrochloride hydrate (TMB-d) is a sensitive chromogen substrate for peroxidase. It is non- carcinogenic, hence, it can be used as a safe substitute for benzidine. TMB-d is useful in quantifying hemoglobin and in staining myeloperoxidase-containing granules in granulocytes.