HOAt (HCID 181649)｜Huagongshe

Namen und Bezeichner

Bevorzugter Name: HOAt
IUPAC: 3-hydroxytriazolo[4,5-b]pyridine
Englischer Name: HOAt
Summenformel: C5H4N4O
Molmasse: 136.11

Namen und Synonyme

1-Hydroxy-7-azabenzotriazole39968-33-7HOAt7-Aza-1-hydroxybenzotriazoleTX8XYH09H0RefChem:433155433-840-5609-760-33H-[1,2,3]triazolo[4,5-b]pyridin-3-ol3-hydroxytriazolo[4,5-b]pyridine3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-MFCD00210053

Weitere Namen anzeigen

HO-EPCP1-Hydroxy-7-azabenzo1-Hydroxy-7-azabenotriazoleN-Hydroxy-7-azobenzotriazole1-Hydroxy-7-azabenzotriazole (HOAt)3H-[1,2,3]triazolo[4,5-b]pyridin-3-ol(SALTDATA: FREE)

57115-46-51-hydroxyl-7-azabenzotriazole3H-(1,2,3)triazolo(4,5-b)pyridin-3-olHOAT solution1,2,3-triazolo[5,4-b]pyridin-3-ol[1,2,3]Triazolo[4,5-b]pyridin-3-olHOAt 1-Hydroxy-7-azabenzotriazole3H-1,2,3-triazolo[4,5-b]pyridine-3-ol

Datenbank-Bezeichner

CAS: 39968-33-7
PubChem CID: 181649
DTXSID: DTXSID0075239
UNII: TX8XYH09H0
EC Number: 433-840-5、609-760-3
Nikkaji: J658.842E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 63,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 131

Physikochemische Eigenschaften

Schmelzpunkt: 213 · 213-216°C
Siedepunkt: 250.36 °C · 250.36°C (rough estimate)
Dichte: 0.973 g/mL · 0.973 g/mL at 20 °C
Brechungsindex: 20 · n20/D 1.441
Flammpunkt: 213 · 213-216°C
storage temp.: Store at RT.
Löslichkeit: 6.8 mg/mL · >6.8mg/mL in DMSO
Aggregatzustand: Powder
pka: 5.85 · 5.85±0.58(Predicted)
Farbe: White to yellow
Decomposition: 213 · 213-216 ºC
Major Application: peptide synthesis
InChI: InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H
InChIKey: FPIRBHDGWMWJEP-UHFFFAOYSA-N
SMILES: C12N(O)N=NC1=CC=CN=2
CAS Datenbank: 39968 · 39968-33-7(CAS DataBase Reference)
EPA chemische Informationen: 3 H-1,2,3-Triazolo[4,5-b]pyridine, · 3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy- (39968-33-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H204 (95.8%): Fire or projection hazard [Warning Explosives]；H301 (24.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (72.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (24.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (75.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (26.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P230, P234, P236, P240, P250, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380+P375, P401, P403+P233, P405, P501, and P503 (click each P-code to see the statement)

Aggregated GHS information provided per 166 reports by companies from 8 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 InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12962

Hazard Classes and CategoriesExpl. 1.4 (95.8%)；Acute Tox. 3 (24.1%)；Acute Tox. 4 (72.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (24.7%)；Eye Irrit. 2 (75.3%)；STOT SE 3 (26.5%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/12962

Sicherheitsdaten

wgk: 1
ridadr: UN 1993 3/PG 3
hs_code: 29332990
risk_code: 61-20/21-36-5-36/37/38-11-41-37/38-22-2-36/37
hazard_code: T,Xi,F,Xn,E
safety_code: 53-45-37/39-26-16-39-35-36-36/37-28-15
hazard_class: IRRITANT
packing_group: Ⅱ
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3Repr. 1B

Chemie und Industrie

Anwendungen

BeschreibungHOAt (also known as 1-Hydroxy-7-azabenzotriazole) is a benzotriazole compound commonly used as a coupling reagent for amino acids and peptides. HOAt is also used as a solid-phase synthesis reagent for chiral peptide nucleic acids.