2-Amino-4,5-diphenyl-3-furonitrile
Grundinformationen
- CAS
5503-73-1- Standard-SMILES
N#Cc1c(N)oc(-c2ccccc2)c1-c1ccccc1- InChIKey
BPFMLOQVCKVCAT-UHFFFAOYSA-N- Summenformel
- C17H12N2O
- Durchschnittliche Molmasse
- 260,29 g/mol
- Monoisotopische Masse
- 260,09496301
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-4,5-diphenyl-3-furonitrile
- IUPAC
- 2-amino-4,5-diphenylfuran-3-carbonitrile
- Englischer Name
- 2-Amino-4,5-diphenyl-3-furonitrile
- Summenformel
- C17H12N2O
- Molmasse
- 260.29
Namen und Synonyme
2-Amino-4,5-diphenyl-3-furonitrile2-Amino-4,5-diphenyl-3-furancarbonitrile3-Furancarbonitrile, 2-amino-4,5-diphenyl-U5550COI90NSC 686265NSC-686265UNII-U5550COI902-AMINO-3-CYANO-4,5-DIPHENYLFURANDTXSID902035683-FURONITRILE, 2-AMINO-4,5-DIPHENYL-RefChem:85154DTXCID20126059
Weitere Namen anzeigen
AKOS UB-20086AKOS BBS-000047194,5-Diphenyl-2-aminofuran-3-carbonitrile2-Amino-4,5-diphenyl-3-furancarbonitrile 95%2-quinolinecarboxylic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester
624-222-82-amino-4,5-diphenylfuran-3-carbonitrile5503-73-1MFCD00274265NSC6862652-amino-4,5-diphenyl-furan-3-carbonitrileMaybridge1_006999ChemDiv2_000330
Datenbank-Bezeichner
- CAS
5503-73-1- PubChem CID
- 389699
- DTXSID
DTXSID90203568- ChEMBL
CHEMBL1567730- UNII
- U5550COI90
- EC Number
- 624-222-8
- Nikkaji
- J284.263G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 63 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 362
Physikochemische Eigenschaften
- Schmelzpunkt
- 201 · 201-205 °C (lit.)
- Siedepunkt
- 450.3 · 450.3±45.0 °C(Predicted)
- Dichte
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -1.91 · -1.91±0.10(Predicted)
- InChI
- 1S/C17H12N2O/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10H,19H2
- InChIKey
- BPFMLOQVCKVCAT-UHFFFAOYSA-N
- SMILES
- Nc1oc(-c2ccccc2)c(-c3ccccc3)c1C#N
- CAS Datenbank
- 5503 · 5503-73-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 20/21/22
- hazard_code
- Xn,Xi
- safety_code
- 36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
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