2-phosphonobutane-1,2,4-tricarboxylic Acid

1,2,4-Butanetricarboxylic acid, 2-phosphono-
1,2,4-Tricarboxy-sec-butylphosphonic acid
2-Phosphonbutane-1,2,4-tricarboxylic acid
2-Phosphono-1,2,4-butanetricarboxylic acid
2-Phosphonobutyl-1,2,4-tricarboxylic acid
3-Carboxy-3-phosphonohexanedioic acid
Bayhibit AM
Bayhibit AM 50
Chelest PH 430
Cublen P 50
PBDCA
PBS-AM
PBTC
PBTCA
Phosphonobutanetricarboxylic acid

Property	Value
InChI2D key string chemrof:inchi2d_key_string	SZHQPBJEOCHCKM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	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)
IUPAC name chemrof:IUPAC_name	2-phosphonobutane-1,2,4-tricarboxylic Acid
Molecular formula chemrof:molecular_formula	C7H11O9P
Molecular mass chemrof:molecular_mass	270.13
Monoisotopic mass chemrof:monoisotopic_mass	270.014069
SMILES string chemrof:smiles_string	O=C(O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=37971-36-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.048.831	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4027999	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/306P37319L	enrich_references.pubchem_identifier_url
hts.usitc.gov	https://hts.usitc.gov/search?query=2931.90.70.00	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.277A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/61973	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27255925	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
11c8ef85-8abc-49c2-abeb-68cd34ad77cf	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
e7c1d002-715d-479e-8710-d306773a51c9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
c3261a62-d667-4ddf-ab15-9b0d784f14d1	Environmental → Air → Indoor	EF 3.1	kg	4
7315b231-e2c8-4720-a5a6-9a7b194bed82	Environmental → Air → Long-term	EF 3.1	kg	0
7250486d-53a6-4d69-8b48-8efbabf5783d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
f983b661-f1eb-409d-b635-5cd3e314cb2a	Environmental → Air → Unknown	EF 3.1	kg	4
adc7d7a7-1a07-4f0b-916e-5ef6315b3588	Environmental → Ground → Agricultural	EF 3.1	kg	4
629e7fc2-491d-44de-8bba-f71f7e135139	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
a2adedc7-ba09-4922-950f-24a7216de4ac	Environmental → Ground → Unknown	EF 3.1	kg	4
4e210f2a-93d7-4b66-83cc-777308e66ee8	Environmental → Water → Long-term	EF 3.1	kg	0
276359d2-9487-4dc2-9ab6-397591f24862	Environmental → Water → Ocean	EF 3.1	kg	4
a75c3d46-2b83-4fa9-ac03-8b83eca6bb20	Environmental → Water → Surface water	EF 3.1	kg	4
5eec6119-4edd-4cab-9546-89569b2405a2	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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2-phosphonobutane-1,2,4-tricarboxylic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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