基本情報
- CAS
15827-60-8- 標準SMILES
O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O- InChIKey
DUYCTCQXNHFCSJ-UHFFFAOYSA-N- 分子式
- C9H28N3O15P5
- 平均分子量
- 573.2 g/mol
- 単同位体質量
- 573.02085218
概要
RN given refers to parent cpd; used with 113mIn for bone scanning
名称と識別子
- 優先名称
- Diethylenetriaminepenta(methylenephosphonic acid)
- IUPAC
- [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
- 現地名
- [ビス[2-[ビス(ホスホノメチル)アミノ]エチル]アミノ]メチルホスホン酸
- 英語名
- Diethylenetriaminepenta(methylene-phosphonic acid)
- 分子式
- C9H28N3O15P5
- 分子量
- 573.2
名称と別名
名称をさらに表示
データベース識別子
- CAS
15827-60-8- PubChem CID
- 85128
- DTXSID
DTXSID0027775- UNII
- 0Q75589TM3
- EC Number
- 239-931-4
- Nikkaji
- J219.842H
物性
構造計算による物性
- XLogP
- -15.1
- 極性表面積
- 297 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 18
- 回転可能結合数
- 16
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 720
実験および物理化学的性質
Physical Description
Liquid; Dry Powder
Solid; [ECHA REACH Registrations] 49-51% Aqueous solution: Clear amber to pale yellow liquid; [Redox Chemicals MSDS]
物理化学的性質
- 沸点
- 1003.3 · 1003.3±75.0 °C(Predicted)
- 比重(密度)
- 1.35 · 1.35 (50% aq.)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 溶解性
- 水性ベース(少量)、水
- 外見
- 油
- 酸解離定数(Pka)
- 0.59 · 0.59±0.10(Predicted)
- 色
- 淡い黄色から茶色
- 水溶解度
- 500 g/L · 500g/L at 25℃
- BRN
- 2068968 · 2068968
- 化粧品成分の機能
- キレート化
- InChIKey
- DUYCTCQXNHFCSJ-UHFFFAOYSA-N
- SMILES
- P(=O)(O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
- LogP
- -3.4 · -3.4
- CAS データベース
- 15827 · 15827-60-8(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis- (15827-60-8)
化学的性質
化学的特性DTPMP is normally delivered as salts, because the acid form has very limited solubility in water and tends to crystallize in concentrated aqueous solutions. It is a nitrogenous organic polyphosphonic acid. It shows very good inhibition of the precipitation of barium sulfate (BaSO4). At high alkali and high temperature (above 210 °C) environments DTPMPA has better scale and corrosion inhibition effect than other phosphonates.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 5.1% (25 of 486) of reports.
Danger
H290 (39.1%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 486 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-
Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis- 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: [[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid (EC: 239-931-4)
Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-: Does not have an individual approval but may be used under an appropriate group standard
毒性情報
安全データ
- wgk
- -
- tsca
- TSCA listed
- ridadr
- UN 1789 8/PG 2
- risk_code
- 36/37/38-51/53-41-37/38
- hazard_code
- Xi,C
- safety_code
- 26-36-33-28-23-16-9-39
- hazard_class
- 8
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Irrit. 2STOT SE 3
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
用途と製造
Uses
Used in the chemical, leather processing, paper-pulp-board, paints-lacquers-varnishes, textile processing, and detergents industries; Used in water treatment, as a scale inhibitor, cleaning/washing agent, dispersing agent, complexing agent, and bleach stabilizer; [IUCLID] Used to formulate polishes and wax blends, washing-cleaning products, water softeners, water treatment chemicals, air care products, biocidal products, coatings-paints, fillers-putties-plasters, fertilizers, inks-toners, processing aids (i.e. pH regulators, flocculants, and precipitants), laboratory chemicals, leather tanning-dying-finishing products, paper and board dying-impregnation-finishing products, textile dying-impregnation-finishing products, cosmetics-personal care products, perfumes-fragrances, photo-chemicals, extraction agents, metal surface treatment products (including those for galvanizing and electroplating), to make base metals and alloys, fabricated metal products, furniture, ceramics, large scale chemicals, in mining, oilfield water systems, electricity-steam-gas-water supply, sewage treatment, building and construction work, agriculture-forestry-fishing; [ECHA REACH Registrations] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Electroplating [Category: Plate]
Use Classification
EPA Safer Chemical Functional Use Classes -> Oxidants and Oxidant Stabilizers
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Cosmetics -> Chelating
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Phosphonic acid, P,P',P'',P'''-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-: ACTIVE
応用分野
使用The phosphonate Diethylenetriaminepenta(methylenephosphonic acid) is a wastewater pollutant, and a component of phosphorous-containing nanoparticles and materials, such as in the preparation of chitosan nanoparticles for plutonium pulmonary decorporation.
一般的な説明Diethylenetriaminepentakis(methylphosphonic acid) (DTPMP) is a multidentate chelating agent. Hydrogen peroxide oxidation of DTPMP is reported. DTPMP, a phosphonate, is commonly used as crystallization inhibitors.
上流・下流製品情報
上流原料
サプライヤー100 社
補足説明
定義Diethylenetriamine five methene phosphoric acid are a kind of widely used corrosion inhibiting and descaling agents, outward appearance is brown color or red-brown thick liquid, nontoxic, molecular formula is C9H28O15N3P5, relative molecular weight is 573.2, be soluble in acidic solution, can form polynary ring huge legendary turtle compound with metal ion in the aqueous solution, loosely is scattered in water, destroy the calcium salt crystalline growths such as carbonate, sulfate scale, thereby play scale effect, can suppress the generation of carbonate, sulfate scale.
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