2-Phosphonobutan-1,2,4-tricarbonsure

2-Phosphonobutane-1,2,4-tricarboxylic acid

HCID 61973

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 37971-36-1
Standard-SMILES: O=C(O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O
InChIKey: SZHQPBJEOCHCKM-UHFFFAOYSA-N
Summenformel: C7H11O9P
Durchschnittliche Molmasse: 270,13 g/mol
Monoisotopische Masse: 270,01406892

Überblick

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

Namen und Bezeichner

Bevorzugter Name: 2-Phosphonobutane-1,2,4-tricarboxylic acid
IUPAC: 2-phosphonobutane-1,2,4-tricarboxylic acid
Lokaler Name: 2-Phosphonobutan-1,2,4-tricarbonsure
Englischer Name: 2-Phosphonobutane-1,2,4-tricarboxylic acid
Summenformel: C7H11O9P
Molmasse: 270.13

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,8
Polarare Oberfläche (TPSA): 169 Å²
H-Brücken-Donoren: 5
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 7
Schwere Atome: 17
Formalladung: 0
Komplexität: 383

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organophosphates, Other

Physical Description · 2 Einträge

Liquid

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

Physikochemische Eigenschaften

Schmelzpunkt: -15 °C · -15 °C
Siedepunkt: 545.2 · 545.2±60.0 °C(Predicted)
Dichte: 1.25 · 1.25 (50% aq.)
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.579 · 1.579
Löslichkeit: Completely miscible in water
Aggregatzustand: clear liquid
pka: 1.14 · 1.14±0.10(Predicted)
Farbe: Colorless to Light yellow
Wasserlöslichkeit: 909 g/L · 909g/L at 20℃
Kosmetik-Inhaltsstoffe Funktionen: BUFFERINGANTICORROSIVECHELATING
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 Datenbank: 37971 · 37971-36-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Phosphono-1,2,4-butanetricarboxylic acid (37971-36-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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 Einträge

Services

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

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter100 Anbieter

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]

Zugehörige Reaktionen

Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…