[ニトリロトリ(メチレン)]トリスホスホン酸α,α,α',α',α''-ペンタナトリウム

Pentasodium nitrilotris(methylenephosphonate)

HCID 16697CAS 2235-43-0

部分構造検索類似構造を探す

基本情報

標準SMILES: O=P([O-])([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])O.[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey: OSBMVGFXROCQIZ-UHFFFAOYSA-I
分子式: C3H7NNa5O9P3
平均分子量: 408.96 g/mol
単同位体質量: 408.88221209

名称と識別子

優先名称: Pentasodium nitrilotris(methylenephosphonate)
IUPAC: pentasodium;[bis(phosphonatomethyl)amino]methyl-hydroxyphosphinate
現地名: [ニトリロトリ(メチレン)]トリスホスホン酸α,α,α',α',α''-ペンタナトリウム
英語名: [Nitrilotris(methylene)]tris-phosphonic acid pentasodium salt
分子式: C3H7NNa5O9P3
分子量: 408.96

名称と別名

2235-43-0Kenrox 106Pentasodium aminotrimethylene phosphonate[Nitrilotris(methylene)]tris-phosphonic acid pentasodium saltPENTASODIUM NITRILOTRIS(METHYLENEPHOSPHONATE)DTXSID8029232HSDB 5870EINECS 218-791-8UNII-IEE518JT88Pentasodium aminotris(methylenephosphonate)Aminotris(methylphosphonic acid), pentasodium saltPhosphonic acid, (nitrilotris(methylene))tris-, pentasodium salt

名称をさらに表示

デクエスト2006[ニトリロトリ(メチレン)]トリスホスホン酸α,α,α',α',α''-ペンタナトリウム五ナトリウム＝水素＝［ニトリロトリス（メチレン）］トリス［ホスホナト］ニトリロトリスメチレンホスホン酸ナトリウムATMPS(5-Na)NA2ATMPkenrox106DEQUEST 2006ATMP pentasodium saltpentasodium aminomethylphosphonateMethylenephosphonicacid)pentasodiumsaltpentasodiumaminotris(methylphosphonicacid)

Aminotris(methylenephoshonic acid) pentasodium saltNitrilo(methylenephosphonic acid), pentasodium saltAminotri(methylene phosphonic acid) pentasodium saltAminotri(methylenephosphonic acid), pentasodium saltNitrilotri(methylenephosphonic acid), pentasodium saltNitrilotris(methylenephosphonic acid) pentasodium saltDTXCID009232Pentasodium (nitrilotris(methylene))trisphosphonate

データベース識別子

CAS: 2235-43-0
PubChem CID: 16697
DTXSID: DTXSID8029232
UNII: IEE518JT88
EC Number: 218-791-8
Nikkaji: J213.132C

物性

構造計算による物性

極性表面積: 190 Å²
水素結合供与体数: 1
水素結合受容体数: 10
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 313

実験および物理化学的性質

Chemical ClassesOther Classes -> Phosphate Compounds

CosmeticsChelating

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 2 件

Liquid

Aqueous solution: Clear pale yellow liquid; [MSDSonline]

物理化学的性質

化粧品成分の機能: キレート化
CAS データベース: 2235 · 2235-43-0(CAS DataBase Reference)
EPAの化学物質情報: Aminotri(methylene phosphonic acid) pentasodium salt (2235-43-0)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 52.8% (66 of 125) of all reports.

Warning

H319 (47.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 125 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Phosphonic acid, [nitrilotris(methylene)]tris-, pentasodium salt

Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:5) 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 (1:5) 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)

Pentasodium aminotris(methylphosphonate): Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA mild eye irritant; No evidence of mutagenicity, fetotoxicity, or teratogenicity; [OECD SIDS] Causes burns; Avoid eye contact; [Redox Chemicals MSDS] See Aminotrimethylene phosphonic acid.

Hazard Classes and CategoriesEye Irrit. 2 (47.2%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

tsca: TSCA listed
有毒物質データの: 2235-43-0(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 2 件

Used formerly as scale inhibitor for removing acidic gases and ammonia from dilute waste solutions; [HSDB] Used for scale inhibition and corrosion prevention in cooling and boiler water treatment, stabilizing peroxide bleaching solutions in textile and paper pulp applications, bottle washing, oil field water treatment, and in drilling muds, kaolin clay slurries, electroplating, metal finishing baths, and cleaning compounds; [MSDSonline]

Electroplating [Category: Plate]

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesDispersing agent

Industry UsesDispersing agent

Use ClassificationCosmetics -> Chelating

General Manufacturing Information · 3 件

All Other Chemical Product and Preparation Manufacturing

Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:5): ACTIVE

PENTASODIUM NITRILOTRIS(METHYLENEPHOSPHONATE) WAS USED AS THE SCALE INHIBITOR IN THE PROCESS FOR REMOVING ACIDIC GASES & AMMONIA FROM DILUTE WASTE SOLUTIONS.

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