Grundinformationen
- Standard-SMILES
O=[N+]([O-])c1cnccc1Cl- InChIKey
JOTRPRKONYTVBV-UHFFFAOYSA-N- Summenformel
- C5H3ClN2O2
- Durchschnittliche Molmasse
- 158,54 g/mol
- Monoisotopische Masse
- 157,988305
Namen und Bezeichner
- Bevorzugter Name
- 4-Chloro-3-nitropyridine
- IUPAC
- 4-chloro-3-nitropyridine
- Englischer Name
- 4-Chloro-3-nitropyridine
- Summenformel
- C5H3ClN2O2
- Molmasse
- 158.54
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13091-23-1- PubChem CID
- 2735781
- DTXSID
DTXSID90370941- UNII
- VX2ZU89YBD
- EC Number
- 603-447-5
- Nikkaji
- J1.074.889E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 58,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 136
Physikochemische Eigenschaften
- Schmelzpunkt
- 35 · 35-50 °C
- Siedepunkt
- 95 °C · 95 °C(Press: 5 Torr)
- Dichte
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.56 · 0.56±0.10(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Pale yellow
- Wasserlöslichkeit
- Insoluble in water.
- InChI
- InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H
- InChIKey
- JOTRPRKONYTVBV-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(Cl)=C1[N+]([O-])=O
- CAS Datenbank
- 13091 · 13091-23-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral];H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 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
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38-41-22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36/39-37/38-36
- hazard_class
- IRRITANT, KEEP COLD
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
Chemie und Industrie
Anwendungen
Verwenden4-Chloro-3-nitropyridine (cas# 13091-23-1) is a compound useful in organic synthesis.
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