Grundinformationen
- Standard-SMILES
ClCI- InChIKey
PJGJQVRXEUVAFT-UHFFFAOYSA-N- Summenformel
- CH2ClI
- Durchschnittliche Molmasse
- 176,38 g/mol
- Monoisotopische Masse
- 175,88897574
Überblick
Chloroiodomethane is a halomethane.
Namen und Bezeichner
- Bevorzugter Name
- Chloroiodomethane
- IUPAC
- chloro(iodo)methane
- Lokaler Name
- Chloriodomethan
- Englischer Name
- Chloroiodomethane
- Summenformel
- CH2ClI
- Molmasse
- 176.38
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
593-71-5- PubChem CID
- 11644
- DTXSID
DTXSID50208034- ChEBI
CHEBI:218584- UNII
- X7AF9WG7CX
- EC Number
- 209-804-8
- Nikkaji
- J457J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 3
- Formalladung
- 0
- Komplexität
- 4,8
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 108 · 108-109 °C (lit.)
- Dichte
- 2.422 g/mL · 2.422 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.582(lit.)
- Flammpunkt
- 108 · 108-109°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Miscible with acetone, benzene, diethyl ether and alcohol.
- Aggregatzustand
- Liquid
- Farbe
- Clear pale yellow to pink-reddish
- Wichte
- 2.422 · 2.422
- BRN
- 1730802 · 1730802
- Henry's Law Constant
- 8.4 · 8.4×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- Stabilität
- Volatile
- InChI
- 1S/CH2ClI/c2-1-3/h1H2
- InChIKey
- PJGJQVRXEUVAFT-UHFFFAOYSA-N
- SMILES
- ClCI
- CAS Datenbank
- 593 · 593-71-5(CAS DataBase Reference)
- NIST chemische Informationen
- Chloroiodomethane(593-71-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 8
- wgk
- 3
- ridadr
- UN2810
- hs_code
- 29034980
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi
- safety_code
- 26-36-24/25-23-36/37
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
BeschreibungChloroiodomethane is a halogenated hydrocarbon that has been studied for its photolytic properties. For instance, the photolysis of chloroiodomethane in cryogenic matrices along with recombination of the nascent radical pair was studied.
VerwendenChloroiodomethane is used as an intermediate in pharmaceuticals, organic synthesis, agrochemicals and dyestuff. It is also useful in cyclopropanation (Simmon-Smith reaction), Mannich reaction, aminomethylation and in epoxidation.
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