Ethyl 2-amino-4-methylthiophene-3-carboxylate

HCID 521132CAS 43088-42-2

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Grundinformationen

Standard-SMILES: CCOC(=O)c1c(C)csc1N
InChIKey: ILYCZKOBLRJJSW-UHFFFAOYSA-N
Summenformel: C8H11NO2S
Durchschnittliche Molmasse: 185,25 g/mol
Monoisotopische Masse: 185,05104977

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-amino-4-methylthiophene-3-carboxylate
IUPAC: ethyl 2-amino-4-methylthiophene-3-carboxylate
Englischer Name: ETHYL 2-AMINO-4-METHYLTHIOPHENE-3-CARBOXYLATE
Summenformel: C8H11NO2S
Molmasse: 185.24

Namen und Synonyme

Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-2DTXSID00334559RefChem:138567DTXCID10285649674-825-5ILYCZKOBLRJJSW-UHFFFAOYSA-NMFCD000516693-Thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl esterEthyl 2-amino-4-methyl-3-thiophenecarboxylate2-Amino-4-methylthiophene-3-carboxylic acid ethyl ester2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester

Weitere Namen anzeigen

2-aMino-4-Methylthiophene-3-carboxylatemethyl 2-amino-4-methylthiophene-3-carboxylateBUTTPARK 29\08-492-Amino-3-(ethoxycarbonyl)-4-methylthiophenethyl 2-amino-4-methylthiophene-3-carboxylateEethyl 2-amino-4-methylthiophene-3-carboxylate2-aMino-5-ethyl-4-Methylthiophene-3-carboxylateEthyl 2-Amino-4-methylthiophene-3-carboxylate >

ethyl2-amino-4-methylthiophene-3-carboxylateEthyl 2-amino-4-methyl-thiophene-3-carboxylateMaybridge1_003755SCHEMBL162443orb3031356HMS552C15Fr12526ALBB-012629

Datenbank-Bezeichner

CAS: 43088-42-2
PubChem CID: 521132
DTXSID: DTXSID00334559
EC Number: 674-825-5
Nikkaji: J3.432.869B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 80,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Schmelzpunkt: 80 °C · 80 °C
Siedepunkt: 279 ℃ · 279℃
Dichte: 1.219 · 1.219
Flammpunkt: 123 ℃ · 123℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystal
pka: 0.24 · 0.24±0.10(Predicted)
Farbe: Light yellow to Yellow to Orange
BRN: 1366073 · 1366073
InChI: InChI=1S/C8H11NO2S/c1-3-11-8(10)6-5(2)4-12-7(6)9/h4H,3,9H2,1-2H3
InChIKey: ILYCZKOBLRJJSW-UHFFFAOYSA-N
SMILES: C1(N)SC=C(C)C=1C(OCC)=O
CAS Datenbank: 43088 · 43088-42-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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 3 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.