2-Iodpropan
Isopropyl iodide
Grundinformationen
- CAS
75-30-9- Standard-SMILES
CC(C)I- InChIKey
FMKOJHQHASLBPH-UHFFFAOYSA-N- Summenformel
- C3H7I
- Durchschnittliche Molmasse
- 169,99 g/mol
- Monoisotopische Masse
- 169,95924822
Überblick
structure
Namen und Bezeichner
- Bevorzugter Name
- Isopropyl iodide
- IUPAC
- 2-iodopropane
- Lokaler Name
- 2-Iodpropan
- Englischer Name
- 2-Iodopropane
- Summenformel
- C3H7I
- Molmasse
- 169.99
Namen und Synonyme
2-IODOPROPANEIsopropyl iodide75-30-9Propane, 2-iodo-2-Propyl iodidesec-Propyl iodide67K05OPZ0EDTXSID4058788RefChem:792175DTXCID1047736200-859-3isopropyliodide
Weitere Namen anzeigen
2-iodo-propan2-Iodopropane OR Isopropyl Iodideiso-C3H7I2-Iodpropan2-Propyljodid2-propyliodideIsopropyliodid
2-Jodpropan2-IODO-PROPANE1-methylethyl iodideC3H7Ii-Propyl iodideMFCD000010712-Iodopropane (Stabilized with Copper)2-Jodpropan [Czech]
Datenbank-Bezeichner
- CAS
75-30-9- PubChem CID
- 6362
- DTXSID
DTXSID4058788- UNII
- 67K05OPZ0E
- EC Number
- 200-859-3
- Nikkaji
- J1.450H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 4
- Formalladung
- 0
- Komplexität
- 10,8
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesCoriolis coupling
LogP2.89
Vapor Pressure43.1 [mmHg]
Physical DescriptionColorless liquid; Discolored by air and light; [Hawley] Clear faintly yellow-green liquid; May discolor on light exposure; [MSDSonline]
Collision Cross Section154 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- -90 °C · -90 °C
- Siedepunkt
- 90 °C · 90 °C
- Dichte
- 1.703 g/mL · 1.703 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.498(lit.)
- Flammpunkt
- 108 °F · 108 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1.4 g/l · 1.4g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to light yellow
- Wasserlöslichkeit
- Soluble in water(1.4g/L).
- Merck
- 14 · 14,5214
- BRN
- 1098244 · 1098244
- Henry's Law Constant
- 8.5 · 8.5×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 8.19 · 8.1899999999999995
- Stabilität
- Stable, but may discolour on exposure to light. Air sensitive. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C3H7I/c1-3(2)4/h3H,1-2H3
- InChIKey
- FMKOJHQHASLBPH-UHFFFAOYSA-N
- SMILES
- CC(C)I
- LogP
- 2.89 · 2.890
- CAS Datenbank
- 75 · 75-30-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Propane, 2-iodo-(75-30-9)
- EPA chemische Informationen
- 2 · Propane, 2-iodo- (75-30-9)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Propane, 2-iodo-
Isopropyl iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; May cause skin sensitization; [MSDSonline] Search for the CAS number 75-30-9 found 3 records, none documenting skin sensitization; [PubMed]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxikologische Informationen
Toxicity DataLC50 (rat) = 320,000mg/m3/30min
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2392 3/PG 3
- hs_code
- 29033990
- RTECS-Nr.
- TZ4200000
- risk_code
- 10-22-36/37/38
- hazard_code
- Xn
- safety_code
- 36/37-37/39-26-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
UsesUsed for organic synthesis; [Hawley]
General Manufacturing InformationPropane, 2-iodo-: ACTIVE
Anwendungen
VerwendenOrganic synthesis, pharmaceuticals. 2-Iodopropane (Isopropyl iodide) was used to prepare butyric and isobutyric acid.
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