3-Aminothiophene-2-carboxamide

HCID 518993CAS 147123-47-5

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Grundinformationen

Standard-SMILES: NC(=O)c1sccc1N
InChIKey: BKDZTJNNXCNSCK-UHFFFAOYSA-N
Summenformel: C5H6N2OS
Durchschnittliche Molmasse: 142,18 g/mol
Monoisotopische Masse: 142,02008381

Namen und Bezeichner

Bevorzugter Name: 3-Aminothiophene-2-carboxamide
IUPAC: 3-aminothiophene-2-carboxamide
Englischer Name: 3-Aminothiophene-2-carboxamide
Summenformel: C5H6N2OS
Molmasse: 142.18

Namen und Synonyme

3-Aminothiophene-2-carboxamide147123-47-5DTXSID20333867RefChem:93010DTXCID30284957625-191-3BKDZTJNNXCNSCK-UHFFFAOYSA-N2-THIOPHENECARBOXAMIDE, 3-AMINO-MFCD000525933-Amino-2-thiophenecarboxamideSCHEMBL561033-Aminothiphene-2-Carboxamide

Weitere Namen anzeigen

3-Amino-2-carbamoylthiophene2-Thiophenecarboxamide,3-amino-(9CI)

2-Aminothiophene-2-carboxamide3-amino-thiophene-2-carboxamide3-amino-2-aminocarbonyl-thiophene3-Amino-2-thiophenecarboxamide #BUTTPARK 99\18-223-Aminothiophene-2-carboxamide98%3-Aminothiophene-2-carboxamide 98%SBB028267

Datenbank-Bezeichner

CAS: 147123-47-5
PubChem CID: 518993
DTXSID: DTXSID20333867
EC Number: 625-191-3
Nikkaji: J1.047.932K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 97,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-124 °C (lit.)
Siedepunkt: 368.7 · 368.7±22.0 °C(Predicted)
Dichte: 1.423 · 1.423±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 15.61 · 15.61±0.50(Predicted)
Aggregatzustand: solid
Farbe: Off-white
BRN: 7165908 · 7165908
InChI: 1S/C5H6N2OS/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8)
InChIKey: BKDZTJNNXCNSCK-UHFFFAOYSA-N
SMILES: NC(=O)c1sccc1N
CAS Datenbank: 147123 · 147123-47-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (95.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29349990
risk_code: 22-36-43
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1