Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate

HCID 596095CAS 155377-19-8
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Grundinformationen

Standard-SMILES
CCOC(=O)c1cn[nH]c1C(F)(F)F
InChIKey
VYXIHSAEOXPAEY-UHFFFAOYSA-N
Summenformel
C7H7F3N2O2
Durchschnittliche Molmasse
208,14 g/mol
Monoisotopische Masse
208,04596196

Namen und Bezeichner

Bevorzugter Name
Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate
IUPAC
ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Englischer Name
Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate
Summenformel
C7H7F3N2O2
Molmasse
208.14

Namen und Synonyme

155377-19-8Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylateDTXSID10344346RefChem:594775DTXCID70295421628-404-8Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylateMFCD000520831H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-, ethyl esterethyl 3-trifluoromethylpyrazole-4-carboxylateethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate
Weitere Namen anzeigen
BUTTPARK 29\06-81Ethyl 3-(trifluoromethyl)pyrazole-4-cETHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-Ethyl3-(trifluoromethyl)pyrazole-4-carboxylate97%Ethyl3-(Trifluoromethyl)pyrazole-4-carboxylate>Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate 97%Ethyl 3-(trifluoromethyl)-2H-pyrazole-4-carboxylateEthyl3-trifluoromethyl-1H-pyrazole-4-carboxylate,97%
SCHEMBL692293-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl esterTD8156FS-11673-(Trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl esterSMR000457911E1024

Datenbank-Bezeichner

CAS
155377-19-8
PubChem CID
596095
DTXSID
DTXSID10344346
ChEMBL
CHEMBL1607482
EC Number
628-404-8
Nikkaji
J2.142.336J、J3.689.836D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
55 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
3
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Solubility13.4 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt
145 °C · 145 °C
Siedepunkt
301.3 · 301.3±42.0 °C(Predicted)
Dichte
1.397 · 1.397±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to crystal

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 (97.7%): 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 44 reports by companies from 7 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 (97.7%)

Sicherheitsdaten

wgk
3
hs_code
29331990
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36/37/39

Chemie und Industrie

Anwendungen

VerwendenEthyl 3-(Trifluoromethyl)pyrazole-4-carboxylate (cas# 155377-19-8) is a compound useful in organic synthesis.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924

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