Methyl 3-amino-4-methylthiophene-2-carboxylate

HCID 123584CAS 85006-31-1
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Grundinformationen

Standard-SMILES
COC(=O)c1scc(C)c1N
InChIKey
YICRPERKKBDRSP-UHFFFAOYSA-N
Summenformel
C7H9NO2S
Durchschnittliche Molmasse
171,22 g/mol
Monoisotopische Masse
171,03539953

Überblick

Methyl 3-amino-4-methylthiophene-2-carboxylate is a thiophenecarboxylic acid.

Namen und Bezeichner

Bevorzugter Name
Methyl 3-amino-4-methylthiophene-2-carboxylate
IUPAC
methyl 3-amino-4-methylthiophene-2-carboxylate
Englischer Name
Methyl 3-amino-4-methylthiophene-2-carboxylate
Summenformel
C7H9NO2S
Molmasse
171.22

Namen und Synonyme

Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-13-Amino-4-methylthiophene-2-carboxylic Acid Methyl Ester2-Thiophenecarboxylic acid, 3-amino-4-methyl-, methyl ester3-AminoarticaineUNII-3LA24473AS3LA24473ASEINECS 285-060-8YICRPERKKBDRSP-UHFFFAOYSA-DTXSID502340702-METHOXYCARBONYL-3-AMINO-4-METHYLTHIOPHENEARTICAINE HYDROCHLORIDE IMPURITY I [EP IMPURITY]
Weitere Namen anzeigen
3-AMINO-4-METHYL-2-THIOPHENECARBOXYLIC ACID METHYL ESTER3-Amino Articaine3-AMINO-4-METHYLTHIOPHENECARBOXYLIC ACID METHYL ESTERM3A4MT2CArticaine-002Articaine Impurity IArticaine Impurity 9LABOTEST-BB LT00453517Articaine EP Impurity I
ARTICAINE HYDROCHLORIDE IMPURITY I (EP IMPURITY)RefChem:157444DTXCID50156561285-060-8InChI=1/C7H9NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,8H2,1-2H3YICRPERKKBDRSP-UHFFFAOYSA-NMethyl3-amino-4-methylthiophene-2-carboxylateMFCD00051822

Datenbank-Bezeichner

CAS
85006-31-1
PubChem CID
123584
DTXSID
DTXSID50234070
ChEBI
CHEBI:194924
UNII
3LA24473AS
EC Number
285-060-8
Nikkaji
J309.588F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
80,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
2
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
85 · 85-88 °C (lit.)
Siedepunkt
318.6 · 318.6±37.0 °C(Predicted)
Dichte
1.264 · 1.264±0.06 g/cm3(Predicted)
Flammpunkt
100 °C · >100°C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (77.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 70 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 19-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20661
Hazard Classes and CategoriesSkin Irrit. 2 (77.1%)

Sicherheitsdaten

wgk
2
hs_code
29349990
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36-24/25-22

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 3-Amino-4-methylthiophene-2-carboxylate is a versatile reactant used in various syntheses. It is used in the preparation of (oxalylamino)benzoic acids and (carboxyheteroarylamino)oxalic acids as selective and orally bioavailable nonpeptide inhibitors of protein-tyrosine phosphatase 1B.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南诚汇双达生物有限公司053158897070 15550412551
INTATRADE GmbH+49 3493/605464 · [email protected]

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