Basic information
- CAS
541-28-6- Standard SMILES
CC(C)CCI- InChIKey
BUZZUHJODKQYTF-UHFFFAOYSA-N- Molecular formula
- C5H11I
- Average molar mass
- 198.05 g/mol
- Monoisotopic mass
- 197.99054835
Names & identifiers
- Preferred name
- 1-Iodo-3-methylbutane
- IUPAC
- 1-iodo-3-methylbutane
- English name
- 1-Iodo-3-methylbutane
- Molecular formula
- C5H11I
- Molecular weight
- 198.05
Names & synonyms
1-Iodo-3-methylbutaneIsoamyl iodide541-28-6Isopentyl iodideBUTANE, 1-IODO-3-METHYL-3-Methylbutyliodide1-iodo-3-methyl-butaneiso-Amyliodide1-Jod-3-methylbutan1-Jod-3-methylbutan [Czech]4-Iodo-2-methylbutaneEINECS 208-773-8
Show more names
Iodo-isopentaneCH2ICH2CH(CH3)21-iodo-3-methyl-butan3-Methyl-1-iodobutane
UNII-E1E5DU187LMFCD00039414BRN 1730990E1E5DU187L4-01-00-00331 (Beilstein Handbook Reference)isoamyliodideIsoamyljodid1-IODO-3-METHYL BUTANE
Database identifiers
- CAS
541-28-6- PubChem CID
- 10924
- DTXSID
DTXSID8060246- UNII
- E1E5DU187L
- EC Number
- 208-773-8
- Nikkaji
- J6.392D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 25.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; Turns brown on air and light exposure; [Merck Index] Colorless to pale yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -85.6 °C · -85.6°C (estimate)
- Boiling point
- 149 °C · 149 °C(lit.)
- Density
- 1.497 g/mL · 1.497 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.492(lit.)
- Flash point
- 115 °F · 115 °F
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Water Solubility
- Insoluble in water. Soluble in most common organic solvents.
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationIsopentyl iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See sec-Butyl iodide.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 1-8-9
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EK4412000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29033080
- risk_code
- 10-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS09
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 16
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 1-iodo-3-methyl-: ACTIVE
Applications
Uses1-Iodo-3-methylbutane can be used for organic synthesis or used as solvents.
Preparation methods
PreparationSynthesis of 1-Iodo-3-methylbutane: Bromo-3-methylbutane (30.2 g, 0.20 mol) was added dropwise to a mixture of NaI (44.97g, 0.30 mol) and acetone (500 mL). The mixture was refluxed overnight. The mixture was filtrated and the filter cake was washed with (2 x 50 mL) acetone. The acetone was evaporated under reduced pressure. 1-Iodo-3-methylbutane was distilled under vacuum to give 13.8g (35 %) (b.p. 25 - 35°C, 15 mmHg).
Upstream & downstream products
Downstream products
Suppliers74 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
56 records
Compound notes
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