Methyl pyrrole-2-carboxylate

HCID 136930CAS 1193-62-0
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Grundinformationen

Standard-SMILES
COC(=O)c1ccc[nH]1
InChIKey
VONGYFFEWFJHNP-UHFFFAOYSA-N
Summenformel
C6H7NO2
Durchschnittliche Molmasse
125,13 g/mol
Monoisotopische Masse
125,04767847

Namen und Bezeichner

Bevorzugter Name
Methyl pyrrole-2-carboxylate
IUPAC
methyl 1H-pyrrole-2-carboxylate
Englischer Name
Methyl 2-pyrrolecarboxylate
Summenformel
C6H7NO2
Molmasse
125.13

Namen und Synonyme

Methyl 1H-pyrrole-2-carboxylate1193-62-0Methyl pyrrole-2-carboxylate1H-pyrrole-2-carboxylic acid, methyl ester3BEG2CK3LUUNII-3BEG2CK3LUNSC-481311H-Pyrrole-2-carboxylic acid,methyl esterDTXSID501524072-(formic acid methyleester)pyrroleNSC 48131RefChem:158016
Weitere Namen anzeigen
RARECHEM AL BF 01742 - pyrrole Methyl forMateMethyl 1H-pyrrol-2-carboxylateMethylPyrrole-2-carboxylate>Methyl 2-pyrrolecarboxylate 97%Pyrrole-2-carboxylic Acid Methyl Ester
DTXCID5074898Methyl 1H-pyrrole-2-carboxylic acid629-314-1InChI=1/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1HVONGYFFEWFJHNP-UHFFFAOYSA-NMethyl 2-pyrrolecarboxylateMFCD00817048Methyl1H-pyrrole-2-carboxylate

Datenbank-Bezeichner

CAS
1193-62-0
PubChem CID
136930
DTXSID
DTXSID50152407
ChEBI
CHEBI:194949
UNII
3BEG2CK3LU
EC Number
629-314-1
Nikkaji
J475.081K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
42,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index2058；2058

Physikochemische Eigenschaften

Schmelzpunkt
74 · 74-78 °C(lit.)
Siedepunkt
104 · 104-105 °C(Press: 9 Torr)
Dichte
1.184 · 1.184±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand
Solid

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 6 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
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 1H-Pyrrole-2-carboxylate is an intermediate used to prepare pyrrolyl aryl sulfones with activity against HIV-1. It is also used in the synthesis of diaryl pyrrolecarboxylates as combretastatin A-4/lamellarin T hybrids with anti-mitotic and cytotoxic activity.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
青岛鼎新海诺商贸有限公司18661607483
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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