基本情報
- 標準SMILES
O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[O-].[Na+]- InChIKey
SDKPSXWGRWWLKR-UHFFFAOYSA-M- 分子式
- C14H7NaO5S
- 平均分子量
- 310.26 g/mol
- 単同位体質量
- 309.9911886
名称と識別子
- 優先名称
- Sodium anthraquinone-1-sulfonate
- IUPAC
- sodium 9,10-dioxoanthracene-1-sulfonate
- 現地名
- アントラキノン-1-スルホン酸ナトリウム
- 英語名
- 1-Anthraquinonesulfonic acid sodium salt
- 分子式
- C14H9NaO5S
- 分子量
- 312.27
名称と別名
名称をさらに表示
データベース識別子
- CAS
128-56-3- PubChem CID
- 517266
- DTXSID
DTXSID50883320- UNII
- F8Q2GUT8LB
- EC Number
- 204-894-5
- Nikkaji
- J79.453H
物性
構造計算による物性
- 極性表面積
- 99.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 538
実験および物理化学的性質
物理化学的性質
- 貯蔵温度
- Store at room temperature
- 外見
- powder to crystal
- 色
- Light orange to Yellow to Green
- 水溶解度
- 適度に溶ける
- InChI
- InChI=1S/C14H8O5S.Na.H/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;;/h1-7H,(H,17,18,19);;
- InChIKey
- QEVFVAYERYFCBR-UHFFFAOYSA-N
- SMILES
- S(C1=CC=CC2C(C3=CC=CC=C3C(=O)C1=2)=O)(O)(=O)=O.[NaH]
- CAS データベース
- 128 · 128-56-3(CAS DataBase Reference)
- EPAの化学物質情報
- -1 · Sodium anthraquinone-1-sulfonate (128-56-3)
化学的性質
化学的特性cream to yellow moist paste
安全と法規制
危険有害性情報
Hazards Summary
Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and coma; Deaths have been reported after children ingested Rhamnus berries; [HSDB] Oral LD50 (rat) = 20,000 mg/kg; Effects include altered kidney and liver function tests; [ChemIDplus] An irritant; [MSDSonline]
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
安全データ
- tsca
- TSCA listed
- rtecs
- CB1095540
- 毒性
- guinea pig,LD50,oral,32gm/kg (32000mg/kg),LIVER: LIVER FUNCTION TESTS IMPAIREDKIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980.
- hs_code
- 29143990
- 化審法
- (4)-736
- safety_code
- 24/25
- 有毒物質データの
- 128-56-3(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
Anthraquinonesulfonic acids have commercial value because the sulfonic acid group can be replaced by many nucleophiles; [HSDB]
Anthraquinonesulfonic acids are commercially important ... major value is due to the relatively easy replacement of the sulfonic acid group by many nucleophiles affording economically valuable intermediates which are difficult to obtain by other methods. /Anthraquinonesulfonic acids/
Methods of Manufacturing
K salt, also called diamant salt, is prepared by sulfonation in the presence of, eg, 0.5% mercury in 20% oleum, an amount of SO3 adequate for the sulfonation of about 60% of the charge. The reaction is controlled in such a manner that about 50% of the anthraquinone remains unsulfonated. After mercury is precipitated as the sulfide, the unreacted anthraquinone is precipitated by dilution and is collected by filtration. After washing and drying, it is recirculated as "reclaimed quinone". Mercury is removed completely from the filtrate, and the anthraquinone-1-sulfonic acid is then precipitated as the potassium salt. /Anthraquinone-1-sulfonic acid, potassium salt/
Sodium salt, also called silver salt, is prepared by sulfonation of anthraquinone in the absence of mercury. The acid also can be obtained from the 1,6- (or 1,7-) disulfonic acid by desulfonation at the alpha position in dilute sulfuric acid. /Anthraquinone-2-sulfonic acid, sodium salt/
応用分野
使用Sodium Anthraquinone-1-sulfonate (cas# 128-56-3) is a compound useful in organic synthesis.
上流・下流製品情報
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…