1-Iodopentane
Basic information
- CAS
628-17-1- Standard SMILES
CCCCCI- InChIKey
BLXSFCHWMBESKV-UHFFFAOYSA-N- Molecular formula
- C5.H11.I
- Average molar mass
- 198.05 g/mol
- Monoisotopic mass
- 197.99055
Overview
1-iodopentane has been reported in Ascophyllum nodosum, Mastocarpus stellatus, and other organisms with data available.
Names & identifiers
- Preferred name
- 1-Iodopentane
- IUPAC
- 1-iodopentane
- English name
- 1-Iodopentane
- Molecular formula
- C5H11I
- Molecular weight
- 198.05
Names & synonyms
1-IODOPENTANE628-17-1n-Amyl iodideAmyl iodidePentyl iodiden-Pentyl iodidePentane, 1-iodo-1-Pentyl iodide1-Jodpentaniodopentane1-Jodpentan [Czech]NSC 7901
Show more names
n-C5H11I1-jodpentane1-iodo-pentan1-pentyliodide
Amyljodid1-iodo-pentaneEINECS 211-030-0MFCD000011001-Iodopentane over CuGQ3RVU6PSCNSC-7901pentyliodide
Database identifiers
- CAS
628-17-1- PubChem CID
- 12335
- DTXSID
DTXSID1060849- UNII
- GQ3RVU6PSC
- EC Number
- 211-030-0
- Nikkaji
- J6.876D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 19.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
LogP3.62
Density1.5161 @ 20°C
Boiling Point157 °C @760 [mm Hg]
Vapor Pressure4.39 [mmHg]
Physical DescriptionClear light red liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -86 °C · -86°C
- Boiling point
- 154 · 154-155 °C(lit.)
- Density
- 1.517 g/mL · 1.517 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.495(lit.)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Iodopentane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 489 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See n-Butyl chloride.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety & protection
Protective Action Criteria (PAC)
5.7 [mg/m3]
63 [mg/m3]
380 [mg/m3]
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SA2975600
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-iodopentane has known human metabolites that include pentyl-glutathione.
Uses & manufacturing
General Manufacturing InformationPentane, 1-iodo-: ACTIVE
Applications
Uses1-Iodopentane (pentyl iodide) was used in the preparation of 1-pentyl radical by shock heating process.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
175 records
Compound notes
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