Grundinformationen
- Standard-SMILES
C=CCI- InChIKey
HFEHLDPGIKPNKL-UHFFFAOYSA-N- Summenformel
- C3H5I
- Durchschnittliche Molmasse
- 167,98 g/mol
- Monoisotopische Masse
- 167,94359816
Überblick
Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- Allyl iodide
- IUPAC
- 3-iodoprop-1-ene
- Lokaler Name
- 3-Iodpropen
- Englischer Name
- ALLYL IODIDE
- Summenformel
- C3H5I
- Molmasse
- 167.98
Namen und Synonyme
ALLYL IODIDE556-56-93-Iodo-1-propene3-Iodopropene1-Propene, 3-iodo-3-IodopropylenePropene, 3-iodo-UN1723EINECS 209-130-4NSC 18588UNII-46830QOA4DBRN 1697594
Weitere Namen anzeigen
AllyljodidAllyliodid3-Jodpropen3-Iodpropen3-iodo-propen3-Jod-1-propen
46830QOA4D2-Propene, 1-iodoCH2CHCH2INSC-18588ALLYL IODIDE [MI]4-01-00-00761 (Beilstein Handbook Reference)DTXSID5060302UN 1723
Datenbank-Bezeichner
- CAS
556-56-9- PubChem CID
- 11166
- DTXSID
DTXSID5060302- UNII
- 46830QOA4D
- EC Number
- 209-130-4
- Nikkaji
- J2.661A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 4
- Formalladung
- 0
- Komplexität
- 17,2
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Halogenated Aliphatics, Unsaturated
Corrosives
SpringerMaterials PropertiesSchoenflies notation
Physical Description
Allyl iodide appears as a yellow liquid with a pungent odor. Denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. Very irritating to skin, eyes and mucous membranes. Poisonous by ingestion and inhalation. Used to make other chemicals.
Yellowish liquid with a pungent unpleasant odor; Darkened by light and air evolving iodine; [Merck Index] Clear dark red liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -99 °C · -99 °C
- Siedepunkt
- 102103 °C · 102103°C
- Dichte
- 1.837 g/mL · 1.837 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.554
- Flammpunkt
- 65 °F · 65 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- alcohol: miscible(lit.)
- Aggregatzustand
- Liquid
- Farbe
- Clear yellow to orange, red or red-brown
- Wasserlöslichkeit
- Soluble in alcohol, chloroform, ether, and diethyl ether. Insoluble in water.
- Merck
- 14 · 14,294
- BRN
- 1697594 · 1697594
- Henry's Law Constant
- 3.8 · 3.8×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Dielectric constant
- 6.1 · 6.1(19℃)
- InChI
- 1S/C3H5I/c1-2-3-4/h2H,1,3H2
- InChIKey
- HFEHLDPGIKPNKL-UHFFFAOYSA-N
- SMILES
- ICC=C
- CAS Datenbank
- 556 · 556-56-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Propene, 3-iodo- (556-56-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propene, 3-iodo-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Corrosive
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
Causes general anesthesia, cyanosis, and changes in the structure or function of salivary glands in oral lethal-dose studies of rats; [RTECS] Corrosive and flammable; [Merck Index] A strong skin, eye, and mucous membrane irritant; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Highly toxic by ingestion; Readily absorbed through skin; [Sigma-Aldrich MSDS] See Allyl bromide. See 2,3-Dichloro-1-propene. See Iodine for the TLV of Iodides.
DOT ID and Guide1723 132
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity ProfileALLYL IODIDE is moderately reactive. Incompatible with strong oxidizing and reducing agents. Also, incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
Allyl iodide
UN1723
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Darkens on exposure to light and air liberating Iodine [Merck 11th ed. 1989]. Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Corrosives, Flammable agents - 3rd degree
Flam. Liq. 2
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- F
- 8-13
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1723
- hs_code
- 29033990
- RTECS-Nr.
- UD0450000
- risk_code
- 10-34-11
- hazard_code
- C,T,F
- safety_code
- 7-26-45-16
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 2 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing Information1-Propene, 3-iodo-: ACTIVE
Anwendungen
VerwendenAllyl iodide is used as a reagent used with allylindium sesquiiodide in the cis-double allylation of cyclopropenes. It is used in synthesis of other organic compounds such as N-alkyl 2-pyrrolidone, Sorbic acid ester etc,.
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