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

HCID 14770682CAS 127892-62-0
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Grundinformationen

Standard-SMILES
CCc1nn(C)c(C(=O)O)c1Cl
InChIKey
NXAIFVHVBHMNJS-UHFFFAOYSA-N
Summenformel
C7H9ClN2O2
Durchschnittliche Molmasse
188,61 g/mol
Monoisotopische Masse
188,0352552

Namen und Bezeichner

Bevorzugter Name
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid
Englischer Name
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
Summenformel
C7H9ClN2O2
Molmasse
188.61

Namen und Synonyme

127892-62-04-CHLORO-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACIDDTXSID60563848RefChem:291632DTXCID70514624836-047-61H-Pyrazole-5-carboxylic acid, 4-chloro-3-ethyl-1-methyl-MFCD084590574-CHLORO-5-ETHYL-2-METHYLPYRAZOLE-3-CARBOXYLIC ACIDSCHEMBL4768937AKOS006291223DS-14982
Weitere Namen anzeigen
4-chloro-3-Ethyl-1-methyl-1H-Pyrazole-5- carboxylic4-chloro-5-ethyl-2-methyl-3-pyrazolecarboxylic acid1-Methyl-3-ethyl-4-chloro-5-pyrazole carboxylic acid4-CHLORO-3-ETHYL-1-METHYL PYRAZOLE-5-CARBOXYLIC ACID4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylicaciEthyl 4-chloro-5-ethyl-1-methyl- 1H-pyrazole-3-carboxylic acid
C3644CL 810,728CS-0094006EN300-373834F16455FT-0762630AMY224-chloro-5-ethyl-2-methyl-pyrazole-3-carboxylic acid

Datenbank-Bezeichner

CAS
127892-62-0
PubChem CID
14770682
DTXSID
DTXSID60563848
EC Number
836-047-6
Nikkaji
J364.778A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
55,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
164 °C · 164 °C
Siedepunkt
339.5 · 339.5±42.0 °C(Predicted)
Dichte
1.4 · 1.40±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit
Chloroform (Slightly, Heated), Methanol (Slightly)
pka
1.9 · 1.90±0.38(Predicted)

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 (50%): 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 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2933.19.9000

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Anwendungen

Verwenden4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-formic Acid is a useful reagent for the synthesis of anti-microbial compounds.

Anbieter50 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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