1,2,4-Triazole-1-acetic acid

HCID 1810180CAS 28711-29-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C(O)Cn1cncn1
InChIKey
RXDBSQXFIWBJSR-UHFFFAOYSA-N
Summenformel
C4H5N3O2
Durchschnittliche Molmasse
127,1 g/mol
Monoisotopische Masse
127,03817641

Namen und Bezeichner

Bevorzugter Name
1,2,4-Triazole-1-acetic acid
IUPAC
2-(1,2,4-triazol-1-yl)acetic acid
Englischer Name
1,2,4-TRIAZOLE-1-ACETIC ACID
Summenformel
C4H5N3O2
Molmasse
127.1

Namen und Synonyme

28711-29-71,2,4-Triazole-1-acetic acid1H-1,2,4-Triazole-1-acetic acid1,2,4-triazol-1-ylacetic acidUNII-W3ASK2WBNHW3ASK2WBNHDTXSID90365231Azole-TP 1,2,4 triazole acetic acidRefChem:71533DTXCID403162732-(1H-1,2,4-Triazol-1-yl)acetic acid2-(1,2,4-triazol-1-yl)acetic acid
Weitere Namen anzeigen
AKOS MSC-0008TRIAZOLEACETICACIDTIMTEC-BB SBB010156Prothioconazole Impurity 131,2,4-1H-TRIAZOLE-ACETIC ACID2-(1,2,4-TRIAZOL-1-YL)ACETATE1H-1,2,4-Triazole-1-acetic aci
(1H-1,2,4-Triazol-1-yl)acetic acid[1,2,4]Triazol-1-yl-acetic acidMFCD00036051(1,2,4-triazol-1-yl)acetic acidF3230-00241H-1,2,4-triazol-1-ylacetic acid2-(1,2,4-triazolyl)acetic acid1H-1,2,4-Triazole-1-aceticacid

Datenbank-Bezeichner

CAS
28711-29-7
PubChem CID
1810180
DTXSID
DTXSID90365231
UNII
W3ASK2WBNH
EC Number
681-716-6
Nikkaji
J2.447.098I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,3
Polarare Oberfläche (TPSA)
68 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
201 · 201-205℃
Siedepunkt
376.9 · 376.9±44.0 °C(Predicted)
Dichte
1.53 · 1.53±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit
DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand
solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 35 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Regulation (EC) No 1107/2009 (amended)

Triazole Acetic Acid is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Toxikologische Informationen

RAIS Toxicity Values · 4 Einträge

0.1

OPP

0.09

OPP

EPA Human Health Benchmarks for Pesticides · 6 Einträge

Triazole Acetic Acid

0.1

3000

Females 13-49 yrs

0.09

500

Regulatorische Informationen

Regulatory Information · 2 Einträge

Regulation (EC) No 1107/2009 (amended)

Triazole Acetic Acid is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Sicherheitsdaten

wgk
WGK 3
hs_code
2933998090
hazard_code
C,Xi
hazard_class
IRRITANT
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

Use Classification · 2 Einträge

Transformation products

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

Anwendungen

Verwenden1H-1,2,4-Triazole-1-acetic acid is used to produce (1-hydroxy-1-phosphono-2-[1,2,4]triazol-1-yl-ethyl)-phosphonic acid at the temperature of 100 - 110°C. It will need reagent H3PO4, PCl3 and solvent chlorobenzene

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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