基本情報
- CAS
149-45-1- 標準SMILES
O.O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
ZLRROLLKQDRDPI-UHFFFAOYSA-L- 分子式
- C6H6Na2O9S2
- 平均分子量
- 332.2 g/mol
- 単同位体質量
- 331.92486268
概要
See also: Tiron (annotation moved to).
名称と識別子
- 優先名称
- Tiron monohydrate
- IUPAC
- disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate
- 現地名
- タイロン INDICATOR (FOR COMPLEXOMETRY)
- 英語名
- 4 5-Dihydroxy-1 3-benzenedisulfonic aci&
- 分子式
- (OH)2C6H2(SO3Na)2H2O
- 分子量
- 332.22
名称と別名
270573-71-2Tiron monohydrateUNII-KHT84Q5M4RKHT84Q5M4R4,5-Dihydroxy-1,3-benzenedisulfonic acid disodium salt monohydrate1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt, monohydrate1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt, hydrate (1:2:1)DTXSID20181527RefChem:190129DTXCID60104018Sodium 4,5-dihydroxybenzene-1,3-disulfonate hydrate149-45-1
名称をさらに表示
タイロン INDICATOR (FOR COMPLEXOMETRY)1,2-ジヒドロキシ-3,5-ベンゼンスルホン酸二ナトリウム一水和物1,2-ジヒドロキシベンゼン-3,5-ジスルホン酸二ナトリウム塩一水和物4,5-ジヒドロキシ-1,3-ベンゼンジスルホン酸 二ナトリウム塩 一水和物1,2-ジヒドロキシベンゼン-3,5-ジスルホン酸二ナトリウム塩一水和物, 97%Disodium catecholdisulfonate4,5-dihydroxybenzene-1,3-disulfonate4 5-Dihydroxy-1 3-benzenedisulfonic aci&Sodium hydroquinone 3,5-disulfonate hydrateCatechol-3,5-disulfonic acid sodium salt hydrateA11439 1,2-Dihydroxybenzene-3,5-disulfonic acid disodium1,2-Dihydroxybenzene-3,5-disulfononic acid disodium salt
物性
構造計算による物性
- 極性表面積
- 173 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 9
- 回転可能結合数
- 0
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 413
実験および物理化学的性質
Chemical ClassesOther Uses -> Chelating Agents
Physical Description
Dry Powder
Solid; [Merck Index] Off-white crystalline powder; [Acros Organics MSDS]
物理化学的性質
- 融点
- 300 °C · >300 °C(lit.)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- 粉
- 色
- 白から紫
- 水溶解度
- 水に溶けやすい。
- Merck
- 13 · 13,9542
- InChI
- 1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
- InChIKey
- ZLRROLLKQDRDPI-UHFFFAOYSA-L
- SMILES
- O.[Na+].[Na+].Oc1cc(cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O
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
Warning
H315 (88.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Disodium 4,5-dihydroxybenzene-1,3-disulphonate (EC: 205-741-5)
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and Categories
Skin Irrit. 2 (88.2%)
Skin Irrit. 2 (100%)
安全データ
- wgk
- 3
- tsca
- Yes
- hs_code
- 29089990
- risk_code
化学と産業
用途と製造
Uses
A chelating agent used in the determination of trace metals; [Merck Index] A minor component of photo processing chemicals; [IUCLID]
Photographic Processing [Category: Other]
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Benzenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2): ACTIVE
応用分野
使用1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt monohydrate, is used as a colorimetric reagent for iron, manganese, titanium, molybdenum, and complexes of zirconium. It is used as a metal indicator. It is used for Chelate titration, colorimetry, fluorometry and masking reagent. It is used in chemical research, pharmaceutical research and as a pharmaceutical intermediate.
一般的な説明4,5-Dihydroxy-1,3-benzenedisulfonic acid disodium salt monohydrate is an antioxidant compound that is structurally similar to vitamin E.
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