Grundinformationen
- Standard-SMILES
NNC(=O)c1ccsc1- InChIKey
AMOWAJLALKAYKL-UHFFFAOYSA-N- Summenformel
- C5H6N2OS
- Durchschnittliche Molmasse
- 142,18 g/mol
- Monoisotopische Masse
- 142,02008381
Namen und Bezeichner
- Bevorzugter Name
- Thiophene-3-carbohydrazide
- IUPAC
- thiophene-3-carbohydrazide
- Englischer Name
- 3-Thiophenecarboxylic acid hydrazide
- Summenformel
- C5H6N2OS
- Molmasse
- 142.18
Namen und Synonyme
Thiophene-3-carbohydrazide39001-23-5DTXSID00332838RefChem:189617DTXCID40283931AMOWAJLALKAYKL-UHFFFAOYSA-NInChI=1/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)SOGBOGBTIKMGFS-UHFFFAOYSA-3-Thiophenecarboxylic acid hydrazidethiophene-3-carboxylic acid hydrazideMFCD013108403-Thiophenecarbohydrazide
Weitere Namen anzeigen
3-THIOPHENECARBOXYLIC ACID HYDRAZIDE ISO 9001:2015 REACH
3-Thiophenecarboxylic acid, hydrazide3-Thiophenecarbohydrazide #SCHEMBL1877973CHEMBL3091845ALBB-020982AKOS000141758MB01758MS-2874
Datenbank-Bezeichner
- CAS
39001-23-5- PubChem CID
- 468648
- DTXSID
DTXSID00332838- ChEMBL
CHEMBL3091845- EC Number
- 673-667-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 83,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 118
Physikochemische Eigenschaften
- Schmelzpunkt
- 126 °C · 126 °C
- Dichte
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 12.44 · 12.44±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Sicherheitsdaten
- risk_code
- 20/21/22-36/37/38-36
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
Chemie und Industrie
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