2,2'-ベンジジンジスルホン酸 (30%水含む)
2,2'-ベンジジンジスルホン酸 (30%水含む) · 2,2'-ジスルホベンジジン · 4,4'-ジアミノ-1,1'-ビフェニル-2,2'-ジスルホン酸 · 2,2'-ベンジジンジスルホン酸 · 4,4'-ジアミノビフェニル2,2'-ジスルホン酸 · 4,4'-ジアミノビフェニル-2,2'-ジスルホン酸 · 4,4'-ジアミノ-2,2'-ビフェニルジスルホン酸 · 4,4'-ジアミノ-1,1'-ビフェニル-2,2'-ビス(スルホン酸)
識別子と物理属性
| CAS No. | 117-61-3 |
|---|---|
| 分子式 | C12H12N2O6S2 |
| 平均分子量 | 344.4 g/mol |
| 単同位体質量 | 344.0136781 g/mol |
| SMILES | Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 |
| InChIKey | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
| PubChem CID | 8337 |
| EC No. | 204-200-0 |
| DTXSID | DTXSID3024572 |
| 現地名 | 2,2'-ベンジジンジスルホン酸 (30%水含む) |
化学・物理的性質
| XLogP | -0.3 |
|---|---|
| 極性表面積 | 178 |
| 水素結合供与体数 | 4 |
| 水素結合受容体数 | 8 |
| 回転可能結合数 | 3 |
| 重原子数 | 22 |
| 形式電荷 | 0 |
| 複雑度 | 540 |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)<0.1 g/100 mL で 20 ºC |
| 融点 | 347 °F (decomposes) (NTP, 1992)175°C |
| Physical Description | Leaflets or prisms or light purple powder. (NTP, 1992) |
| 沸点 | 638.25℃[at 101 325 Pa] |
| 密度 | 1.5417 (rough estimate) |
| 蒸気圧 | 0Pa at 25℃ |
| 屈折率 | 1.6510 (estimate) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa（酸解離定数） | -1.85±0.50(Predicted) |
| 外観・状態 | 粉 |
| 色 | ダークパープル |
| InChI | InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20) |
| InChIKey | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(N)C=C2S(O)(=O)=O)=CC=C(N)C=C1S(O)(=O)=O |
| LogP（分配係数） | 1.102 at 24℃ |
| CAS データベース | 117-61-3(CAS DataBase Reference) |
| EPAの化学物質情報 | [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino- (117-61-3) |
化学的特性
PURPLE CRYSTALLINE POWDER
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 19.3% (11 of 57) of reports.WarningH315 (10.5%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12572 |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include eye irritation. |
| 反応性グループ | Sulfonates, Phosphonates, and Thiophosphonates, Organic |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (10.5%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
用途
使用
4,4'-Diaminobiphenyl-2,2'-disulfonic acid hydrate is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. Benzidine-2,2' -disulfonic acid is used in the production of yellow and red azo dyes.
一般的な説明
Leaflets or prisms or light purple powder.
製法・合成法
調製方法
2,2'-Benzidinedisulfonic acid is made from the potassium or sodium salt of 3- nitrobenzenesulfonic acid by a gradual reduction using zinc dust and sodium hydroxide solution in a dilute aqueous solution. The product is subsequently rearranged using hydrochloric acid or dilute sulfuric acid. Electrochemical or catalytic reductions are also possible.