3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 820565CAS 26308-42-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCc1cc(C(=O)O)n(C)n1
InChIKey
AYPCLZDGADHRDL-UHFFFAOYSA-N
Summenformel
C7H10N2O2
Durchschnittliche Molmasse
154,17 g/mol
Monoisotopische Masse
154,07422757

Namen und Bezeichner

Bevorzugter Name
3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
3-ethyl-1-methylpyrazole-5-carboxylic acid
Englischer Name
3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Summenformel
C7H10N2O2
Molmasse
154.17

Namen und Synonyme

26308-42-93-Ethyl-1-Methyl-1H-Pyrazole-5-Carboxylic AcidRefChem:501281821-599-25-Ethyl-2-methyl-2H-pyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-3-ethyl-1-methylpyrazole-5-carboxylic acid5-ethyl-2-methylpyrazole-3-carboxylic acidMFCD03086079SB36277SY192490CS-0096252
Weitere Namen anzeigen
AKOS PAO-0874CHEMBRDG-BB 4402465TIMTEC-BB SBB010349ASINEX-REAG BAS 077512055-ethyl-2-methyl-3-pyrazolecarboxylic acid5-ethyl-2-methyl-pyrazole-3-carboxylic acid
5-ethyl-AM807133Sildenafil Impurity 227SCHEMBL3435033-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLICACIDDTXSID001381536HMS1699A08ALBB-014915

Datenbank-Bezeichner

CAS
26308-42-9
PubChem CID
820565
DTXSID
DTXSID001381536
EC Number
821-599-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
55,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
11

Physikochemische Eigenschaften

Siedepunkt
320.8 · 320.8±30.0 °C(Predicted)
Dichte
1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.11 · 3.11±0.25(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hazard_code
Xi
hazard_class
IRRITANT

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter43 Anbieter

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]

Zugehörige Reaktionen

32
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…