アントラキノン-1-スルホン酸ナトリウム

Sodium anthraquinone-1-sulfonate

HCID 517266CAS 128-56-3

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

SODIUM ANTHRAQUINONE-1-SULFONATE1-Anthraquinonesulfonic acid sodium saltSodium anthraquinone-alpha-sulfonate1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium saltHSDB 6386NSC 7575EINECS 204-894-5Anthrachinon-1-sulfonan sodny1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1)Anthrachinon-1-sulfonan sodny [Czech]DTXSID508833209,10-Anthraquinone-1-sulfonate sodium salt
名称をさらに表示
アントラキノン-1-スルホン酸ナトリウム金塩9,10-ジオキソ-9,10-ジヒドロ-1-アントラセンスルホン酸ナトリウム9,10-ジヒドロ-9,10-ジオキソ-1-アントラセンスルホン酸ナトリウムアントラキノン-1-スルホン酸ナトリウム塩1-アントラキノンスルホン酸ナトリウム塩ナトリウム=9,10-ジオキソ-9,10-ジヒドロアントラセン-1-スルホナートアントラキノン‐1‐スルホン酸ナトリウム9,10-ジオキソ-9,10-ジヒドロアントラセン-1-スルホン酸ナトリウムナトリウム 9,10-ジオキソ-9,10-ジヒドロアントラセン-1-スルホナートSodium anthraquinone-1-sulfonate (1=α)goldsaltgoldensaltanthrachinon-1-sulfonansodnySODIUM β-ANTHRAQUINONESULFONATESODIUM ANTHRAQUINONE A-SULFONATESODIUMANTHRAQUINONEALPHA-SULPHONATEanthrachinon-1-sulfonansodny(czech)Anthraquinone-1-Sulfonic Acid Sodium
9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid sodium saltAnthrachinon-1-sulfonan sodny (Czech)RefChem:887263Anthrachinon1sulfonan sodnySodium anthraquinonealphasulfonateDTXCID1010228581Anthraquinonesulfonic acid sodium salt9,10Anthraquinone1sulfonate sodium salt

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

実験および物理化学的性質

Chemical ClassesDyes -> Anthraquinone Dyes
Solubility1-Mono anthraquinonesulfonic acid, sodium salt, has a water solubility of 1000 mg/100 ml water at 18 °C.
Physical DescriptionLight yellow crystalline powder; [MSDSonline]
Other Experimental PropertiesAnthraquinonesulfonic acids are strong acids which are readily soluble in water. /Anthraquinonesulfonic acids/

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

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 · 1 件

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 · 1 件

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

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Human Toxicity ExcerptsChronic neurotoxic effects include vision disturbances. /From table; Quinones/
Non-Human Toxicity ExcerptsAcute neurotoxic effects reported in animals include convulsions; medullary paralysis. /From table; Quinones/

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

化学と産業

薬理情報

Metabolism/MetabolitesQuinones (ie, 6,12-dione) have been shown to undergo oxidation-reduction cycles involving quinone, hydroquinone, and molecular oxygen, resulting in the formation of oxygen radicals and semiquinone radicals. /Quinones/

用途と製造

Uses · 2 件

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 · 2 件

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/

General Manufacturing Information1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1): ACTIVE

応用分野

使用Sodium Anthraquinone-1-sulfonate (cas# 128-56-3) is a compound useful in organic synthesis.

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関連反応

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