Glufosinate

HCID 4794CAS 35597-44-5
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Grundinformationen

Standard-SMILES
CP(=O)(O)CCC(N)C(=O)O
InChIKey
IAJOBQBIJHVGMQ-UHFFFAOYSA-N
Summenformel
C5H12NO4P
Durchschnittliche Molmasse
181,13 g/mol
Monoisotopische Masse
181,05039449

Überblick

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid is a non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group. It is a member of phosphinic acids and a non-proteinogenic alpha-amino acid.

Namen und Bezeichner

Bevorzugter Name
Glufosinate
IUPAC
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
Englischer Name
Glufosinate-P
Summenformel
C5H12NO4P
Molmasse
181.13

Namen und Synonyme

GLUFOSINATE51276-47-2DL-Phosphinothricin3-Amino-3-carboxypropylmethylphosphinic acidDL-2-Amino-4-(methylphosphino)butanoic acid(+-)-PhosphinothricinC8W4FP6BTYButanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-HOE-35956DTXSID0043973HOE 359562-Amino-4-(hydroxymethylphosphinyl)butanoic acid
Weitere Namen anzeigen
L-GlufosinateL-Glufosinate ammoniumL-PhosphinothricinGlufosinate Impurity 5L-GlufositeGlufosinate-PPhosphinothricine(S)-Phosphinothricin(S)-2-Amino-4-(hydroxymethylphosphinyl)butyric acid(S)-4-[Hydroxy(methyl)phosphinyl]-2-aminobutyric acid
(2RS)-2-AMINO-4-(HYDROXY(METHYL)PHOSPHINOYL)BUTYRIC ACID(3-azaniumyl-3-carboxypropyl)-methylphosphinate2-azaniumyl-4-(hydroxy(methyl)phosphoryl)butanoate4-(Hydroxy(methyl)phosphinoyl)-DL-homoalanineRefChem:663162DTXCID8023973CHEBI:52136257-102-5

Datenbank-Bezeichner

CAS
35597-44-5、51276-47-2
PubChem CID
4794
DTXSID
DTXSID0043973
ChEMBL
CHEMBL450298
ChEBI
CHEBI:142851
UNII
C8W4FP6BTY
EC Number
257-102-5
Nikkaji
J8.581B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-5
Polarare Oberfläche (TPSA)
101 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
4
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Pesticides · 5 Einträge

Herbicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Herbicides

Pesticide

Collision Cross Section · 2 Einträge

142.7 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

139.3 Ų [M+H]+

Physikochemische Eigenschaften

Schmelzpunkt
209 · 209-210 °C
Siedepunkt
519.1 · 519.1±45.0 °C(Predicted)
Dichte
1.378 · 1.378±0.06 g/cm3(Predicted)
pka
2.22 · 2.22±0.10(Predicted)
InChI
InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey
IAJOBQBIJHVGMQ-BYPYZUCNSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302+H312+H332 (61.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-

07/25/EC, Reg (EU) 2015/408, Reg. (EU) 2015/404, Reg. (EU) 2022/801, Reg. (EU) No 365/2013, Reg. (EU) No 540/2011

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (95.7%)

Acute toxicity (Oral) - Category 4

Reproductive toxicity - Category 1B

Toxikologische Informationen

Health EffectsSeizures; muscle weakness (post-status epileptic myopathy); convulsions; and even death. (T10)
Toxicity SummaryGlufosinate irreversibly inhibits the enzyme glutamine synthetase, which decreases ammonia detoxification. Increased ammonia levels lead to impairment of photorespiration and photosynthesis in plants. (T10)
Signs and SymptomsNausea, vomiting, and diarrhea that is followed in 24h by impaired respiration. (T10)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
USGS Health-Based Screening Levels for Evaluating Water-Quality · 6 Einträge

Glufosinate

62721

Pesticide

30

Data are for glufosinate-ammonium CASRN 77182822

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Sicherheitsdaten

Alarmwort
Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.

Verwendung und Herstellung

Use Classification · 2 Einträge

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Herbicides

Vor- und nachgelagerte Produkte

Anbieter25 Anbieter

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]

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