1,3-Diiodopropane
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Basic information
- CAS
627-31-6- Standard SMILES
ICCCI- InChIKey
AAAXMNYUNVCMCJ-UHFFFAOYSA-N- Molecular formula
- C3H6I2
- Average molar mass
- 295.89 g/mol
- Monoisotopic mass
- 295.85589619
Names & identifiers
- Preferred name
- 1,3-Diiodopropane
- IUPAC
- 1,3-diiodopropane
- English name
- 1,3-Diiodopropane
- Molecular formula
- C3H6I2
- Molecular weight
- 295.89
Names & synonyms
1,3-DiiodopropanePROPANE, 1,3-DIIODO-K9QFA94XGYNSC-35647DTXSID7060837Propane, 1,3diiodoRefChem:72687DTXCID3043495210-993-4AAAXMNYUNVCMCJ-UHFFFAOYSA-NInChI=1/C3H6I2/c4-2-1-3-5/h1-3H627-31-6
Show more names
1,3-Diiodopro1,3-Dijodpropan1,3-DIIODOPROPANα,ω-DiiodopropaneTrimethylendijodid1,3-Diiode-propanePropane,1,3-diiodo-TRIMETHYLENE IODIDE
Trimethylene diiodideMFCD00001097NSC 35647EINECS 210-993-4BRN 1731117AI3-52340UNII-K9QFA94XGY4-01-00-00228 (Beilstein Handbook Reference)
Database identifiers
- CAS
627-31-6- PubChem CID
- 12314
- DTXSID
DTXSID7060837- UNII
- K9QFA94XGY
- EC Number
- 210-993-4
- Nikkaji
- J6.866G
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 12.4
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
LogP3.02
Vapor Pressure0.26 [mmHg]
Physical DescriptionColorless to light orange liquid; Not miscible or difficult to mix in water; [MSDSonline]
Physicochemical properties
- Melting point
- -20 °C · -20°C
- Boiling point
- 111 · 111-113 °C/31 mmHg (lit.)
- Density
- 2.576 g/mL · 2.576 g/mL at 25 °C (lit.)
- vapor pressure
- 3.42 hPa · 3.42hPa at 20℃
- refractive index
- 20 · n20/D 1.642(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (94.3%): 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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 29-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31817
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (94.3%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TY1080000
- ridadr
- 2810
- hs_code
- 29033080
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- hazard_note
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropane, 1,3-diiodo-: ACTIVE
Applications
Uses1,3-Diiodopropane is used as a reagent for organic synthesis. 1, 3-Diiodopropane is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.
General DescriptionThe adsorption of 1,3-diiodopropane on a molybdenum-aluminum alloy thin film formed on dehydroxylated alumina has been studied.
Preparation methods
Preparation1,3-Diiodopropane can be obtained by reacting 1,3-dibromopropane and sodium iodide in acetone at 50 °C; or by reacting 1,3-dichloropropane and sodium iodide in DMF at 140 °C under the catalysis of tetrabutylammonium iodide.
Upstream & downstream products
Upstream raw materials
Related reactions
33 records
Compound notes
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