HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isobutyl iodide
1-IODO-2-METHYLPROPANE · iso-C4H9I · Isobutyljodid · ISOBUTYL IODIDE · Isobutyl iodine · ISO-BUTANEIODIDE · Iodide isobutane · 1-Iodo-iso-butane
Identifiers & Physical Properties
| CAS No. | 513-38-2 |
|---|---|
| Molecular formula | C4H9I |
| Average molar mass | 184.02 g/mol |
| Monoisotopic mass | 183.97489829 g/mol |
| SMILES | CC(C)CI |
| InChIKey | BTUGGGLMQBJCBN-UHFFFAOYSA-N |
| PubChem CID | 10556 |
| EC No. | 208-160-5 |
| DTXSID | DTXSID9060154 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 1 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 17.6 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Iodomethylpropane appears as a colorless liquid mixture of isomers that discolors in air. Denser than water. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals. |
| Melting point | -93 °C |
| Boiling point | 120-121 °C(lit.) |
| Density | 1.599 g/mL at 25 °C(lit.) |
| Vapor density | 6 (vs air) |
| Vapor pressure | 20 mm Hg ( 20 °C) |
| Refractive index | n20/D 1.496(lit.) |
| Flash point | 55 °F |
| Storage conditions | Flammables area |
| Solubility | alcohol: miscible(lit.)insoluble |
| Physical state | Liquid |
| Color | Clear colorless to light orange |
| Specific heat capacity | Cp(liquid): 0.88 J/(g·K), at 25℃ |
| Sensitivity | Light Sensitive |
| Merck | 14,5144 |
| BRN | 1730927 |
| Dielectric constant | 5.8(20℃) |
| InChI | 1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3 |
| InChIKey | BTUGGGLMQBJCBN-UHFFFAOYSA-N |
| SMILES | CC(C)CI |
| CAS DataBase Reference | 513-38-2(CAS DataBase Reference) |
| FDA UNII | 82IJ6B9708 |
| NIST Chemistry Reference | Propane, 1-iodo-2-methyl-(513-38-2) |
| EPA Substance Registry System | Propane, 1-iodo-2-methyl- (513-38-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H331-H315-H319-H225 |
| 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+P311-P403+P233-P403+P235-P405 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | F,Xi,Xn |
| Risk statements (R) | 11-36/37/38-20-53 |
| Safety statements (S) | 16-26-36-9-33 |
| UN transport number | UN 2391 3/PG 2 |
| Water hazard class (WGK) | 3 |
| RTECS number | TZ4250000 |
| F | 8-10-23 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 3 InhalationFlam. Liq. 2 |
| Packing group | II |
| Customs code | 29033080 |
| Storage class | 3 - Flammable liquids |
Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger 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, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT label | Flammable Liquid |
| Fire hazards | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Health hazards | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Reactive group | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | IODOMETHYLPROPANE is incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| Air and Water Reactions | Highly flammable. Slightly soluble in water. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Fire fighting | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| First aid | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Nonfire spill response | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| F | 8-10-23 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | TZ4250000 |
| UN transport number | UN 2391 3/PG 2 |
| Customs code | 29033080 |
| Risk statements (R) | 11-36/37/38-20-53 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS06 |
| Hazard symbols | F,Xi,Xn |
| Safety statements (S) | 16-26-36-9-33 |
| Hazard class | 3Acute Tox. 3 InhalationFlam. Liq. 2 |
| Storage class | 3 - Flammable liquids |
| Packing group | II |
| GHS hazard statements | H331-H315-H319-H225 |
| 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+P311-P403+P233-P403+P235-P405 |
Applications & Uses
Uses
Isobutyl iodide is a useful synthetic building block, such as its use in the palladium-catalyzed alkylation of arylpyridines with alkyl iodides.
General Description
A colorless liquid mixture of isomers that discolors in air. Denser than water. Flash point 30°F. Vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.