HuagongsheHuagongshe Chemistry Print Report · For research reference only
Butyl iodide
BUTYL IODIDE · N-BUTYL IODIDE · Iodobutane · 1-LODOBUTANE · n-C4H9I · 1-Jodbutan · 1-iodo-butan · 1-Butyljodid
Identifiers & Physical Properties
| CAS No. | 25267-27-0 |
|---|---|
| Molecular formula | C4H9I |
| Average molar mass | 184.02 g/mol |
| Monoisotopic mass | 183.97489829 g/mol |
| SMILES | CCCCI |
| InChIKey | KMGBZBJJOKUPIA-UHFFFAOYSA-N |
| PubChem CID | 10962 |
| EC No. | 208-824-4 |
| DTXSID | DTXSID70862157 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 13.1 |
| Chemical classes | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (partition coefficient) | 3.08 |
| Vapor pressure | 13.9 [mmHg]18.5 hPa (25 °C) |
| Physical Description | Liquid[Merck Index] Colorless liquid[Alfa Aesar MSDS] |
| Melting point | −103 °C(lit.) |
| Boiling point | 130-131 °C(lit.) |
| Density | 1.617 g/mL at 25 °C(lit.) |
| Vapor density | ~5 (vs air) |
| Refractive index | n20/D 1.498(lit.) |
| Flash point | 92 °F |
| Storage conditions | Store below +30°C. |
| Solubility | alcohol: solubleInsoluble in water. |
| Physical state | Liquid |
| Color | Clear colorless to pale yellow or light pink |
| Thermal conductivity | 0.09 W/(m·K) at 25 ℃ |
| Sensitivity | Light Sensitive |
| Merck | 14,1573 |
| BRN | 1420755 |
| Henry's law constant | 6.9×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielectric constant | 4.5(130℃) |
| Stability | Stable. Highly flammable. Incompatible with strong oxidizing agents. Light sensitive. |
| InChI | 1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3 |
| InChIKey | KMGBZBJJOKUPIA-UHFFFAOYSA-N |
| SMILES | CCCCI |
| CAS DataBase Reference | 542-69-8(CAS DataBase Reference) |
| FDA UNII | 607A6CC46R |
| NIST Chemistry Reference | Butane, 1-iodo-(542-69-8) |
| EPA Substance Registry System | Butane, 1-iodo- (542-69-8) |
| UNSPSC Code | 12352101 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H332-H315-H319-H226 |
| GHS precautionary statements | P501-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P235 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn |
| Risk statements (R) | 10-20-36/37/38-20/22 |
| Safety statements (S) | 16-36-36/37/39-26 |
| UN transport number | UN 1993 3/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | EK4400000 |
| F | 8 |
| Hazard Note | Harmful |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 3 InhalationFlam. Liq. 3 |
| Packing group | III |
| Customs code | 29033080 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH226 (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, P316, 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 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Butane, 1-iodo-1-Iodobutane: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | An irritantHarmful by inhalation[Alfa Aesar MSDS] See 1-Bromobutane and n-Butyl chloride. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Adverse effects | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) = 6,100 mg/m3/4hr |
| F | 8 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | EK4400000 |
| UN transport number | UN 1993 3/PG 3 |
| Customs code | 29033080 |
| Risk statements (R) | 10-20-36/37/38-20/22 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xn |
| hazard_note | Harmful |
| Safety statements (S) | 16-36-36/37/39-26 |
| Hazard class | 3Acute Tox. 3 InhalationFlam. Liq. 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| GHS hazard statements | H332-H315-H319-H226 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P501-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P235 |
Applications & Uses
Uses
1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. It is also used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.
General Description
Thermal chemistry of 1-iodobutane has been investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy.
Preparation & Synthesis
Preparation
1-Iodobutane is obtained by reacting n-butanol with iodine in the presence of phosphorus.