2,2'-ベンジジンジスルホン酸 (30%水含む)
2,2'-Benzidinedisulfonic acid
基本情報
- CAS
117-61-3- 標準SMILES
Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1- InChIKey
MBJAPGAZEWPEFB-UHFFFAOYSA-N- 分子式
- C12H12N2O6S2
- 平均分子量
- 344.4 g/mol
- 単同位体質量
- 344.0136781
概要
Leaflets or prisms or light purple powder. (NTP, 1992)
名称と識別子
- 優先名称
- 2,2'-Benzidinedisulfonic acid
- IUPAC
- 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
- 現地名
- 2,2'-ベンジジンジスルホン酸 (30%水含む)
- 英語名
- 2,2'-Benzidinedisulfonic acid
- 分子式
- C12H12N2O6S2
- 分子量
- 344.36
名称と別名
117-61-3Benzidine-2,2'-disulfonic acid2,2'-Benzidinedisulfonic acid6,6'-Bimetanilic acid2,2'-Disulfobenzidine4,4'-Diamino-[1,1'-biphenyl]-2,2'-disulfonic acid[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-Benzidine-2,2'-disulphonic acid4,4'-Diaminobiphenyl-2,2'-disulfonic acidBenzidine, 2,2'-disulfo-4,4'-Diamino-2,2'-biphenyldisulfonic acidKyselina benzidin-2,2'-disulfonova
名称をさらに表示
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)4,4'-ジアミノ-1,1'-ビフェニル-2,2'-ビススルホン酸4,4'-ジアミノ-2,2'-ビフェニルジスルホン酸 (30%水含む)4,4'-ジアミノビフェニル-2,2'-ジスルホン酸水和物BDSABENZIDINE 2,2 DISULFONIC ACID70.0%(T)2,2'-BenzidinedisulfBenzidine-2,2'-disuL2,2’-disulfo-benzidinBENZIDINEDISULPHONICACIDBiphenylaminesulfonic acid
NSC 37634,4'-Diaminodiphenyl-2,2'-disulfonic acidEINECS 204-200-0ALF643N2EQBRN 2675524AI3-220514,4'-Diamino-(1,1'-biphenyl)-2,2'-disulfonic acidKyselina benzidin-2,2'-disulfonova [Czech]
データベース識別子
- CAS
117-61-3- PubChem CID
- 8337
- DTXSID
DTXSID3024572- UNII
- ALF643N2EQ
- EC Number
- 204-200-0
- Nikkaji
- J5.292B
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 178 Ų
- 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
実験および物理化学的性質
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point347 °F (decomposes) (NTP, 1992)
Physical DescriptionLeaflets or prisms or light purple powder. (NTP, 1992)
物理化学的性質
- 融点
- 175 °C · 175°C
- 沸点
- 638.25 ℃[at · 638.25℃[at 101 325 Pa]
- 比重(密度)
- 1.5417 · 1.5417 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.651 · 1.6510 (estimate)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 酸解離定数(Pka)
- -1.85 · -1.85±0.50(Predicted)
- 外見
- 粉
- 色
- ダークパープル
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 20 ºC
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 19.3% (11 of 57) of reports.
Warning
H315 (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.
危険有害性情報
Regulatory InformationStatus: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12572
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include eye irritation.
Reactive GroupSulfonates, Phosphonates, and Thiophosphonates, Organic
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (10.5%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
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.
化学と産業
用途と製造
General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-: ACTIVE
応用分野
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.
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.
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