HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Iodopropane
PROPYL IODIDE · N-PROPYL IODIDE · n-C3H7I · 1-Jodpropan · Propyljodid · 1-Iodpropane · 1-IODOPROPANE · n-Propyliodid
Identifiers & Physical Properties
| CAS No. | 107-08-4 |
|---|---|
| Molecular formula | C3H7I |
| Average molar mass | 169.99 g/mol |
| Monoisotopic mass | 169.95924822 g/mol |
| SMILES | CCCI |
| InChIKey | PVWOIHVRPOBWPI-UHFFFAOYSA-N |
| PubChem CID | 33643 |
| EC No. | 203-460-2 |
| DTXSID | DTXSID501015653 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 1 |
| Heavy atoms | 4 |
| Formal charge | 0 |
| Complexity | 7.2 |
| Chemical classes | Other Classes -> Halogenated Aliphatics, SaturatedFlammable agents - 2nd degree |
| SpringerMaterials Properties | Coriolis coupling |
| LogP (partition coefficient) | 2.54 |
| Vapor pressure | 43.1 [mmHg]43 mm Hg ( 25 °C) |
| Physical Description | Iodopropanes appears as a colorless liquid that discolors in air. Denser than water. The vapors are heavier than air. May be mildly toxic by inhalation. Used as a solvent and to make pharmaceuticals.Colorless or yellowish liquid[Merck Index] |
| Melting point | -101 °C |
| Boiling point | 101-102 °C(lit.) |
| Density | 1.743 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.504(lit.) |
| Flash point | 112 °F |
| Storage conditions | Store below +30°C. |
| Solubility | 1.1g/lFully miscible in water. |
| Physical state | Liquid |
| Color | Clear colorless to yellow |
| Thermal conductivity | 0.087 W/(m·K) at 25 ℃ |
| Sensitivity | Light Sensitive |
| Merck | 14,7862 |
| BRN | 505937 |
| Henry's law constant | (x 10-3 atmm3/mol): 9.09 at 25 °C (Hine and Mookerjee, 1975) |
| Dielectric constant | 7.0899999999999999 |
| Stability | Stable, but may discolour on exposure to light. Incompatible with strong oxidizing agents, strong bases. Flammable. |
| InChI | 1S/C3H7I/c1-2-3-4/h2-3H2,1H3 |
| InChIKey | PVWOIHVRPOBWPI-UHFFFAOYSA-N |
| SMILES | CCCI |
| CAS DataBase Reference | 107-08-4(CAS DataBase Reference) |
| FDA UNII | ND3629KE2K |
| NIST Chemistry Reference | Propane, 1-iodo-(107-08-4) |
| EPA Substance Registry System | Propane, 1-iodo- (107-08-4) |
| 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 |
| Target organs | Respiratory system |
| Hazard symbols | Xn,Xi,N |
| Risk statements (R) | 10-20-36/37/38-52/53-2017/10/20 |
| Safety statements (S) | 16-26-36/37-61 |
| UN transport number | UN 2392 (IODOPROPANES) |
| Water hazard class (WGK) | 3 |
| RTECS number | TZ4100000 |
| F | 8 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 4 InhalationAquatic Chronic 1Carc. 2Eye Irrit. 2Flam. Liq. 3Muta. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29033080 |
| Storage class | 3 - Flammable liquids |
| Toxicity | LD50 (inhalation) for rats 73,000 mg/m3/30-min (quoted, RTECS, 1985). |
| REACH registrations | Active |
| 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 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Propane, 1-iodo-Status: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/220931-Iodopropane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 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)]: |
| Hazards summary | An irritantHarmful by inhalation[Alfa Aesar MSDS] |
| Reactive group | Halogenated Organic Compounds |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Halogenated aliphatic compounds, such as IODOPROPANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Low molecular weight haloalkanes are highly flammable and can react with some metals to form dangerous products. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are 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. 3 (100%)Flammable agents - 2nd degree |
| 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)]: |
| Toxicity Data | LC50 (rat) = 73,000 mg/m3/30min |
| F | 8 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | TZ4100000 |
| UN transport number | UN 2392 (IODOPROPANES) |
| Customs code | 29033080 |
| Toxicity | LD50 (inhalation) for rats 73,000 mg/m3/30-min (quoted, RTECS, 1985). |
| Risk statements (R) | 10-20-36/37/38-52/53-2017/10/20 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xn,Xi,N |
| hazard_note | Irritant |
| Safety statements (S) | 16-26-36/37-61 |
| Hazard class | 3Acute Tox. 4 InhalationAquatic Chronic 1Carc. 2Eye Irrit. 2Flam. Liq. 3Muta. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| Target organs | Respiratory system |
| 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) |
| REACH registrations | Active |
| 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-Iodopropane is 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. Iodine derivatives are also used as organic building blocks, analytical reagents etc. It is also used as a solvent and intermediate of organic synthesis.