CAS 37971-36-1 2-Phosphonobutane-1,2,4-tricarboxylic acid (HCID 61973)

概要

dental plaque crystal growth inhibitor; RN given for parent cpd; structure given in first source

名称と識別子

優先名称: 2-Phosphonobutane-1,2,4-tricarboxylic acid
IUPAC: 2-phosphonobutane-1,2,4-tricarboxylic acid
現地名: 2-ホスホノブタン-1,2,4-トリカルボン酸
英語名: 2-Phosphonobutane-1,2,4-tricarboxylic acid
分子式: C7H11O9P
分子量: 270.13

名称と別名

2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID37971-36-12-Phosphono-1,2,4-butanetricarboxylic acid1,2,4-Butanetricarboxylic acid, 2-phosphono-phosphonobutanetricarboxylic acidBAYHIBIT AMPBTAPBTC tricarboxylic acid306P37319LDTXSID4027999RefChem:478251DTXCID807999

名称をさらに表示

2-ホスホノ-1,2,4-ブタントリカルボン酸2-ホスホノブタン-1,2,4-トリカルボン酸2-ホスホノブタン1,2,4-トリカルボン酸2ホスホノブタン1,2,4-トリカルボン酸２ホスホノ１，２，４ブタントリカルボン酸2-ホスホノブタン-1,2,4-トリカルボン酸 (約50%水溶液)3-カルボキシ-3-ホスホノヘキサン二酸 (約50%水溶液)3-カルボキシ-3-ホスホノヘキサン二酸PBTCAPBTC 47~53%2-Phosphonobutane-1scale inhibitor PBTCAReverse Osmosis Antiscalant2-Phosphonobutane-1,2,4-TricarboxyL2-Phosphonobutan-1,2,4-tricarbonsure2-phosphono-1,2,4-butanetricarboxylic

253-733-5PBTC2-Phosophonobutane-1,2,4-tricarboxylic acid2-Phosphonobutane-1,2,4-tricarbonic acidMFCD019407533-Carboxy-3-phosphonohexanedioic AcidC7H11O9PEINECS 253-733-5

データベース識別子

CAS: 37971-36-1
PubChem CID: 61973
DTXSID: DTXSID4027999
UNII: 306P37319L
EC Number: 253-733-5
Nikkaji: J261.277A

物性

構造計算による物性

XLogP: -2.8
極性表面積: 169 Å²
水素結合供与体数: 5
水素結合受容体数: 9
回転可能結合数: 7
重原子数: 17
形式電荷: 0
複雑度: 383

実験および物理化学的性質

Chemical ClassesOther Classes -> Organophosphates, Other

Physical Description · 2 件

Liquid

Produced as a solid; Available as aqeous solution; [eChemPortal: SIDSUNEP] Dark straw-colored liquid; [MSDSonline]

物理化学的性質

融点: -15 °C · -15 °C
沸点: 545.2 · 545.2±60.0 °C(Predicted)
比重(密度): 1.25 · 1.25 (50% aq.)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.579 · 1.579
溶解性: Completely miscible in water
外見: clear liquid
酸解離定数(Pka): 1.14 · 1.14±0.10(Predicted)
色: Colorless to Light yellow
水溶解度: 909 g/L · 909g/L at 20℃
化粧品成分の機能: バッファリング防錆剤キレート化
InChI: InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)
InChIKey: SZHQPBJEOCHCKM-UHFFFAOYSA-N
SMILES: C(C(O)=O)C(P(O)(O)=O)(C(O)=O)CCC(O)=O
LogP: -1.66 at · -1.66 at 25℃
CAS データベース: 37971 · 37971-36-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Phosphono-1,2,4-butanetricarboxylic acid (37971-36-1)

化学的性質 · 1 件

化学的特性2-Phosphonobutane-1,2,4-tricarboxylic acid (PBTC)is colorless or light yellow transparent liquid. Relative density (20°C) 1.275. Freezing point -15°C. Has excellent scale and corrosion inhibition properties. Acid resistance, alkali resistance, oxidant resistance. When pH>14, it still does not hydrolyze, and the thermal stability is good.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.7% (7 of 261) of reports.

Danger

H290 (46.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 261 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,2,4-Butanetricarboxylic acid, 2-phosphono-

1,2,4-Butanetricarboxylic acid, 2-phosphono- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,4-Butanetricarboxylic acid, 2-phosphono- 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: 2-phosphonobutane-1,2,4-tricarboxylic acid (EC: 253-733-5)

1,2,4-Butanetricarboxylic acid, 2-phosphono-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCorrosive to skin and eyes; [eChemPortal: ERMA] An eye irritant; [MSDSonline] The commercial product is a solution that is not irritating to the skin or eyes. [AIHA]

Hazard Classes and CategoriesMet. Corr. 1 (46.4%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

tsca: TSCA listed
ridadr: UN 3265
hs_code: 2931.90.9051
risk_code: 34
化審法: (2)-2935
hazard_code: Xi;Xn,Xn,Xi
safety_code: 26-45
hazard_class: 8
packing_group: III

化学と産業

用途と製造

Uses · 2 件

Used as additive to cooling water (anti-scaling agent) and to industrial cleaning/bleaching agents (food processing and textile industries); [eChemPortal: SIDSUNEP]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

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

Consumer UsesAnti-adhesive/cohesive

Industry UsesAnti-scaling agent

Household ProductsInformation on 9 consumer products that contain Phosphonobutanetricarboxylic Acid in the following categories is provided:

General Manufacturing Information · 2 件

Services

1,2,4-Butanetricarboxylic acid, 2-phosphono-: ACTIVE

上流・下流製品情報

上流原料

マレイン酸マレイン酸ジメチルナトリウムメトキシドフマル酸ジメチルアクリル酸アクリル酸メチル亜りん酸ジメチル

サプライヤー100 社

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

化合物ノート

読み込み中…

2-ホスホノブタン-1,2,4-トリカルボン酸

基本情報

概要