Grundinformationen
- Standard-SMILES
CC(C)(C)I- InChIKey
ANGGPYSFTXVERY-UHFFFAOYSA-N- Summenformel
- C4H9I
- Durchschnittliche Molmasse
- 184,02 g/mol
- Monoisotopische Masse
- 183,9749
Namen und Bezeichner
- Bevorzugter Name
- 2-Iodo-2-methylpropane
- IUPAC
- 2-iodo-2-methylpropane
- Lokaler Name
- 2-Iod-2-methylpropan
- Englischer Name
- 2-IODO-2-METHYLPROPANE
- Summenformel
- C4H9I
- Molmasse
- 184.02
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
558-17-8- PubChem CID
- 11206
- DTXSID
DTXSID3060328- UNII
- E5HY19G10P
- EC Number
- 209-190-1
- Nikkaji
- J2.668I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 25
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
698.1;698
686;694;699;715;694.5
Physikochemische Eigenschaften
- Schmelzpunkt
- 38 °C · −38 °C(lit.)
- Siedepunkt
- 99 · 99-100 °C(lit.)
- Dichte
- 1.544 g/mL · 1.544 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.491(lit.)
- Flammpunkt
- 46 °F · 46 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Miscible with ethanol and ether.
- Aggregatzustand
- clear liquid to cloudy liquid
- Farbe
- Colorless to Light yellow to Light orange
- BRN
- 505950 · 505950
- Dielectric constant
- 8.42 · 8.4199999999999999
- Stabilität
- Stable, but may discolour upon exposure to light. Highly flammable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C4H9I/c1-4(2,3)5/h1-3H3
- InChIKey
- ANGGPYSFTXVERY-UHFFFAOYSA-N
- SMILES
- CC(C)(C)I
- CAS Datenbank
- 558 · 558-17-8(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Propane, 2-iodo-2-methyl- (558-17-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 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
- F
- 8-10-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2391 3/PG 2
- hs_code
- 29033990
- RTECS-Nr.
- TZ4251000
- risk_code
- 11-36/37/38-53
- hazard_code
- F,Xi
- safety_code
- 16-26-36
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Iodo-2-methylpropane is used as a chemical reagent in organic synthesis. Further, it serves as a pharmaceutical intermediate.
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