Ethyl-5-methyl-1H-pyrazol-3-carboxylat

Ethyl 5-methyl-1H-pyrazole-3-carboxylate

HCID 77645

Grundinformationen

CAS
4027-57-0
Standard-SMILES
CCOC(=O)c1cc(C)[nH]n1
InChIKey
BOTXQJAHRCGJEG-UHFFFAOYSA-N
Summenformel
C7H10N2O2
Durchschnittliche Molmasse
154,17 g/mol
Monoisotopische Masse
154,07422757

Namen und Bezeichner

Bevorzugter Name
Ethyl 5-methyl-1H-pyrazole-3-carboxylate
IUPAC
ethyl 5-methyl-1H-pyrazole-3-carboxylate
Lokaler Name
Ethyl-5-methyl-1H-pyrazol-3-carboxylat
Englischer Name
Ethyl 3-methyl-1H-pyrazole-5-carboxylate
Summenformel
C7H10N2O2
Molmasse
154.17

Namen und Synonyme

Ethyl 5-methyl-1H-pyrazole-3-carboxylateEINECS 223-702-0DTXSID50193259NSC 44006NSC 62433RefChem:595815DTXCID10115750223-702-04027-57-0Ethyl 3-methyl-1H-pyrazole-5-carboxylateEthyl 3-methylpyrazole-5-carboxylate1226862-09-4
Weitere Namen anzeigen
AKOS PAO-0427BUTTPARK 29\06-793-methylpyrazole-5-ethyl formate3-Ethoxycarbonyl-5-methylpyrazoleETHYL 3-METHYL-5-PYRAZOLECARBOXYLATEEthyl3-Methylpyrazole-5-carboxylate>
1H-Pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester5-Methyl-1H-pyrazole-3-carboxylic acid ethyl esterMFCD000525145-Methyl-2H-pyrazole-3-carboxylic acid ethyl esterEthyl 5-methylpyrazole-3-carboxylateUNII-55U2A7EN9X55U2A7EN9XCHEMBL4635398

Datenbank-Bezeichner

CAS
4027-57-0
PubChem CID
77645
DTXSID
DTXSID50193259
ChEMBL
CHEMBL4635398
UNII
55U2A7EN9X
EC Number
223-702-0
Nikkaji
J217.843E、J479.011A

Eigenschaften

Berechnete Struktureigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
80 · 80-84 °C (lit.)
Siedepunkt
299.1 · 299.1±20.0 °C(Predicted)
Dichte
1.171 · 1.171±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Aggregatzustand
powder to crystal
pka
11.6 · 11.60±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (75%): 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, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;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 (25%);Acute Tox. 4 (25%);Skin Irrit. 2 (75%);Eye Irrit. 2A (75%);Acute Tox. 4 (25%);STOT SE 3 (75%)

Sicherheitsdaten

wgk
3
hs_code
29331990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

VerwendenEthyl 3-Methyl-5-pyrazolecarboxylate is a useful synthetic intermediate. It is used to prepare tetrahydroisoquinoline amide substituted Ph pyrazoles as selective Bcl-2 inhibitors. It is also studies as a hypolipidemic agent.

Anbieter100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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