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HCID 61973Erstellt: 26. Oktober 2026

2-Phosphonobutan-1,2,4-tricarbonsure

PBTCA · PBTC · PHOSPHONOBUTANETRICARBOXYLIC ACID · PBTC 47~53% · 2-Phosphonobutane-1 · scale inhibitor PBTCA · Reverse Osmosis Antiscalant · 2-Phosphonobutane-1,2,4-TricarboxyL

https://huagongshe.com/de/chemical/61973

Molekülstruktur von 2-Phosphonobutan-1,2,4-tricarbonsure

Identifikatoren & physikalische Daten

CAS No.37971-36-1
SummenformelC7H11O9P
Durchschnittliche Molmasse270,13 g/mol
Monoisotopische Masse270,01406892 g/mol
SMILESO=C(O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O
InChIKeySZHQPBJEOCHCKM-UHFFFAOYSA-N
PubChem CID61973
EC No.253-733-5
DTXSIDDTXSID4027999
Lokaler Name2-Phosphonobutan-1,2,4-tricarbonsure

Chemische & physikalische Eigenschaften

XLogP-2,8
Polarare Oberfläche (TPSA)169
H-Brücken-Donoren5
H-Brücken-Akzeptoren9
Frei drehbare Bindungen7
Schwere Atome17
Formalladung0
Komplexität383
StoffklassenOther Classes -> Organophosphates, Other
Physical DescriptionLiquidProduced as a solidAvailable as aqeous solution[eChemPortal: SIDSUNEP] Dark straw-colored liquid[MSDSonline]
Schmelzpunkt-15 °C
Siedepunkt545.2±60.0 °C(Predicted)
Dichte1.25 (50% aq.)
Dampfdruck0Pa at 25℃
Brechungsindex1.579
LöslichkeitCompletely miscible in water909g/L at 20℃
Aggregatzustandclear liquid
pKa (Säurekonstante)1.14±0.10(Predicted)
FarbeColorless to Light yellow
Kosmetik-Inhaltsstoffe FunktionenBUFFERINGANTICORROSIVECHELATING
InChIInChI=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)
InChIKeySZHQPBJEOCHCKM-UHFFFAOYSA-N
SMILESC(C(O)=O)C(P(O)(O)=O)(C(O)=O)CCC(O)=O
LogP (Verteilungskoeffizient)-1.66 at 25℃
CAS Datenbank37971-36-1(CAS DataBase Reference)
EPA chemische Informationen2-Phosphono-1,2,4-butanetricarboxylic acid (37971-36-1)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 2.7% (7 of 261) of reports.DangerH290 (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.
Regulatorische InformationenChemical: 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
GefahrenübersichtCorrosive 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%)
Unerwünschte WirkungenDermatotoxin - Skin burns.
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3265
Zollcode2931.90.9051
R-Sätze (R)34
GefahrensymboleXiXn,Xn,Xi
Sicherheitshinweise (S)26-45
Gefahrenklasse8
VerpackungsgruppeIII