Thiophene-2-carbohydrazide

HCID 73098CAS 2361-27-5

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Grundinformationen

Standard-SMILES: NNC(=O)c1cccs1
InChIKey: SOGBOGBTIKMGFS-UHFFFAOYSA-N
Summenformel: C5H6N2OS
Durchschnittliche Molmasse: 142,18 g/mol
Monoisotopische Masse: 142,02008381

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Thiophene-2-carbohydrazide
IUPAC: thiophene-2-carbohydrazide
Englischer Name: 2-Thiophenecarboxylic acid hydrazide
Summenformel: C5H6N2OS
Molmasse: 142.18

Namen und Synonyme

Thiophene-2-carbohydrazide2361-27-5Thiophene-2-carboxylic acid hydrazide2-Thiophenecarboxylic acid, hydrazideW4J3WEF93NNSC-653DTXSID80178271RefChem:189615DTXCID10100762219-107-02-Thiophenecarboxylic acid hydrazide2-Thenoylhydrazine

Weitere Namen anzeigen

THENOIC HYDRAZIDEAKOS BBS-00004097LABOTEST-BB LT00772322hiophene-2-carbohydrazide2-Thiophenecarbonyl hydrazideThiophene-2-carbohydrazide 98%

2-ThiophenecarbohydrazideThiophene-2-carboxylic hydrazide2-Thiophenecarboxylic hydrazideMFCD000054352-Thiophenecarbohydrazonic acid2-Thiophenecarboxylicacidhydrazide2-Thienylcarboxylic acid hydrazide2-Thenoic hydrazide

Datenbank-Bezeichner

CAS: 2361-27-5
PubChem CID: 73098
DTXSID: DTXSID80178271
ChEMBL: CHEMBL3091844
UNII: W4J3WEF93N
EC Number: 219-107-0
Nikkaji: J170H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 83,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 118

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-139 °C(lit.)
Dichte: 1.291 · 1.291 (estimate)
Brechungsindex: 1.643 · 1.6430 (estimate)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: Crystalline Powder
pka: 12.43 · 12.43±0.10(Predicted)
Farbe: Slightly yellow to beige
BRN: 114437 · 114437
InChI: 1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
InChIKey: SOGBOGBTIKMGFS-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccs1
CAS Datenbank: 2361 · 2361-27-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Thiophenecarboxylic acid, hydrazide(2361-27-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Thiophenecarboxylic acid hydrazide features a planar molecular structure with cis-oriented torsion angles of less than 10° and serves as a ligand for transition metal complexes involving manganese, cobalt, nickel, copper, zinc, cadmium, palladium, and ruthenium[1]. The compound reacts with isatin in ethanol under reflux to synthesize 2-thiophenecarbonylhydrazone-3-isatin[2].