4-Iodophenylacetonitrile
Grundinformationen
- CAS
51628-12-7- Standard-SMILES
N#CCc1ccc(I)cc1- InChIKey
PNXWQTYSBFGIFD-UHFFFAOYSA-N- Summenformel
- C8H6IN
- Durchschnittliche Molmasse
- 243,04 g/mol
- Monoisotopische Masse
- 242,95449719
Namen und Bezeichner
- Bevorzugter Name
- 4-Iodophenylacetonitrile
- IUPAC
- 2-(4-iodophenyl)acetonitrile
- Englischer Name
- 4-Iodophenylacetonitrile
- Summenformel
- C8H6IN
- Molmasse
- 243.04
Namen und Synonyme
4-Iodophenylacetonitrile51628-12-7DTXSID50199579RefChem:99471DTXCID60122070626-811-5PNXWQTYSBFGIFD-UHFFFAOYSA-N2-(4-iodophenyl)acetonitrile4-Iodobenzyl cyanide(4-Iodophenyl)acetonitrileBenzeneacetonitrile, 4-iodo-MFCD00060306
Weitere Namen anzeigen
p-IodobenzylCyanide4-Iodophenylacetonitrile 97%4-Iodophenylacetonitrile-97%2-(4-iodophenyl)ethanenitrile4-Iodophenylacetonitrile 4-Iodobenzyl Cyanide p-Iodobenzyl Cyanide
4-(cyanomethyl)phenyl iodide(4-iodo-phenyl)-acetonitrileCK1021CS-W005301SY030019I10584-Iodobenzyl cFT-0618803
Datenbank-Bezeichner
- CAS
51628-12-7- PubChem CID
- 142866
- DTXSID
DTXSID50199579- EC Number
- 626-811-5
- Nikkaji
- J1.222.564D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 139
Physikochemische Eigenschaften
- Schmelzpunkt
- 53 · 53-57 °C(lit.)
- Siedepunkt
- 152 °C/ · 152°C/ 3mm
- Dichte
- 1.764 · 1.764±0.06 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- Wasserlöslichkeit
- Insoluble in water
- BRN
- 1934479 · 1934479
- InChI
- 1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
- InChIKey
- PNXWQTYSBFGIFD-UHFFFAOYSA-N
- SMILES
- Ic1ccc(CC#N)cc1
- CAS Datenbank
- 51628 · 51628-12-7(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 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29269090
- risk_code
- 22-43
- hazard_code
- Xn,Xi
- safety_code
- 36/37
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
Chemie und Industrie
Anwendungen
Verwenden4-Iodophenylacetonitrile is used as an intermediate in organic syntheses and in pharmaceuticals.
Vor- und nachgelagerte Produkte
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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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