Aminotrimethylene phosphonic acid (HCID 16698)

概要

[Nitrilotris(methylene)]trisphosphonic acid is a phosphonoacetic acid.

名称と識別子

優先名称: Aminotrimethylene phosphonic acid
IUPAC: [bis(phosphonomethyl)amino]methylphosphonic acid
現地名: ニトリロトリス(メチレンホスホン酸) (約50%水溶液, 約2.2mol/L)
英語名: Amino tris(methylene phosphonic acid)
分子式: C3H12NO9P3
分子量: 299.05

名称と別名

6419-19-8Tris(phosphonomethyl)amineAminotrimethylene phosphonic acidFerrofos 509Dequest 2000Dowell L 37Aminotris(methanephosphonic acid)Nitrilotrimethylphosphonic acidAminotri(methylene phosphonic acid)Aminotris(methylphosphonic acid)Aminotri(methylenephosphonic acid)Aminotri(methylphosphonic acid)

名称をさらに表示

ニトリロトリス(メチレンホスホン酸) (約50%水溶液, 約2.2mol/L)トリ(ホスホノメチル)アミンニトリロトリスメチレントリホスホン酸トリス(ホスホノメチル)アミン(ニトリロトリスメチレン)トリスホスホン酸[ニトリロトリス(メチレン)]トリス(ホスホン酸)[ニトリロトリス(メチレン)]トリスホスホン酸ニトリロトリス(メチレン)トリホスホン酸ニトリロトリスメチレントリス(ホスホン酸)ニトリロトリス(メチレン)トリスホスホン酸ニトリロトリスメチレントリスホスホン酸ニトリロトリス(メチレン)トリス(ホスホン酸)デクエスト2000(ニトリロトリスメチレン)トリホスホン酸ニトリロトリ(メチレン)トリスホスホン酸アミノトリメチルホスホン酸ニトリロトリス(メチレン)トリホスホン酸,50%溶液ニトリロトリスメチレンホスホン酸トリス(ホスホノメチル)アミン (約50%水溶液, 約2.2mol/L) (約50%水溶液, 約2.2mol/L)ニトリロトリ(メチルホスホン酸)ATMPAMINO TRIMETHYLENE PHOSPHONIC ACID (ATMP)ATMPAntpoNitriLNITRILOTRI(METHYLPHOSPHONIC ACID)(nitrilo

Nitrilotrimethanephosphonic acidNitrilotrimethylenephosphonic acidAminotris(methylenephosphonic acid)Amino, tris(methylene phosphonic acid)Nitrilotrimethylenetris(phosphonic acid)NITRILOTRIS(METHYLPHOSPHONIC ACID)(Nitrilotris(methylene))trisphosphonic acidEINECS 229-146-5

データベース識別子

CAS: 20592-85-2、6419-19-8
PubChem CID: 16698
DTXSID: DTXSID2027624
ChEMBL: CHEMBL260191
ChEBI: CHEBI:168957
UNII: 1Y702GD0FG
EC Number: 229-146-5、243-900-0
Nikkaji: J56.127D

物性

構造計算による物性

XLogP: -7.2
極性表面積: 176 Å²
水素結合供与体数: 6
水素結合受容体数: 10
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 305

実験および物理化学的性質

Chemical ClassesOther Classes -> Phosphate Compounds

CosmeticsChelating

SpringerMaterials PropertiesCrystal structure

LogP-3.53

Density1.33 @ 20°C

Solubility1000 mg/mL at 25 °C

物理化学的性質

融点: 215 °C · ~215 °C (dec.)
沸点: 746.2 · 746.2±70.0 °C(Predicted)
比重(密度): 1.3 g/mL · 1.3 g/mL at 25 °C
蒸気圧: 0 Pa · 0Pa at 25℃
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 水（少し、加熱）
外見: 個体
酸解離定数(Pka): 0.56 · 0.56±0.10(Predicted)
色: 白い
PH: 0.46 · 0.46
水溶解度: 500 g/L · 500g/L at 20℃
BRN: 1715724 · 1715724
安定性: 安定。塩基、強力な酸化剤と相容れない。
化粧品成分の機能: キレート化
InChI: 1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKey: YDONNITUKPKTIG-UHFFFAOYSA-N
SMILES: OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O
LogP: -3.5 · -3.5
CAS データベース: 6419 · 6419-19-8(CAS DataBase Reference)
EPAの化学物質情報: Aminotri(methylene phosphonic acid) (6419-19-8)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 8.2% (66 of 802) of reports.

Warning

H290 (48.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P390, and P406 (click each P-code to see the statement)

Aggregated GHS information provided per 802 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 96.5% (305 of 316) of all reports.

危険有害性情報

Regulatory Information · 6 件

Chemical: Phosphonic acid, P,Pâ²,Pâ²â²-[nitrilotris(methylene)]tris-

Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) 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)

Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- 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)

Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15198

Status: Active Update: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14507

Aminotri(methylenephosphonic acid): Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phosphonic acid, [nitrilotris(methylene)]tris-: Human health tier I assessment

Hazards SummaryAn eye irritant; [MSDSonline] No adverse effects reported in workers except irritation in >20 years of use; [AIHA]

EPA Safer ChemicalChemical: Aminotrimethylene phosphonic acid

Hazard Classes and Categories · 2 件

Not Classified

Met. Corr. 1 (48.4%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

30 [mg/m3]

69 [mg/m3]

420 [mg/m3]

安全データ

F: 3-9
wgk: 1
tsca: TSCA listed
rtecs: SZ9860000
ridadr: 3265
hs_code: 29319090
risk_code: 36-34-35
化審法: (2)-1866, (2)-2009
hazard_code: Xi,C
safety_code: 26-45-36/37/39-25-44-36
hazard_class: 8
packing_group: III
Hazard Classifications: Met. Corr. 1
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Uses · 2 件

Used mainly as a deflocculant and sequestrant (chelating or complexing agent) in industrial water treatment; Also used in cleaners and in stabilizers (peroxide solutions to bleach cotton, linen, jute, rayon, and paper); [CHEMINFO]

Pulp and Paper Processing [Category: Industry]

U.S. Production · 2 件

2023: 2,500,000 - <4,000,000 lb

2023: 4,000,000 - <5,500,000 lb

Consumer Uses · 2 件

Chelating agent

Industry Uses · 2 件

Lubricating agent

Cleaning agent

Household ProductsInformation on 8 consumer products that contain Aminotrimethylene Phosphonic Acid in the following categories is provided:

Use Classification · 3 件

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

応用分野 · 2 件

使用A powerful complexing agent. A potent acid sphingomyelinase inhibitor.

一般的な説明Nitrilotris(methylene)triphosphonic acid solution is an antiscalant and can be removed form membrane concentrates by iron-coated waste filtration sand. It is a cement retarder. It reacts with the aluminum surface to form a coating which is an effective inhibitor of the reaction of evaporated aluminum thin films on glass or silicon with deionized water.

上流・下流製品情報

上流原料

formaldehyde 三塩化りん塩化アンモニウム

下流製品

キトサン

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

ニトリロトリス(メチレンホスホン酸) (約50%水溶液, 約2.2mol/L)

基本情報

概要