HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,8-Dibromooctane
8-Dibromooctane · 1,8-DIBROMOOCANE · 1?-DIBROMOOCTANE · 1,8-DibroMooCLane · 1,8-DIBROMOOCTANE · 1,8-dibromo-octan · Dibromo-1,8 octane · 1,8-OCTANE DIBROMIDE
Identifiers & Physical Properties
| CAS No. | 4549-32-0 |
|---|---|
| Molecular formula | C8H16Br2 |
| Average molar mass | 272.02 g/mol |
| Monoisotopic mass | 269.96187471 g/mol |
| SMILES | BrCCCCCCCCBr |
| InChIKey | DKEGCUDAFWNSSO-UHFFFAOYSA-N |
| PubChem CID | 78310 |
| EC No. | 224-912-5 |
| DTXSID | DTXSID5063520 |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 7 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 47.2 |
| Chemical classes | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Physical Description | Clear light yellow liquidmp = 12-16 deg C[Sigma-Aldrich MSDS] |
| Melting point | 12-16 °C (lit.) |
| Boiling point | 270-272 °C (lit.) |
| Density | 1.477 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.498(lit.) |
| Flash point | >230 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Chloroform (Sparingly), Hexanes (Slightly)Insoluble |
| Physical state | Liquid |
| Specific gravity | 1.465 |
| Color | Clear yellow |
| BRN | 1698114 |
| Henry's law constant | 1.3×10-2 mol/(m3Pa) at 25℃, Sarraute et al. (2006) |
| Dielectric constant | 7.4299999999999997 |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2 |
| InChIKey | DKEGCUDAFWNSSO-UHFFFAOYSA-N |
| SMILES | BrCCCCCCCCBr |
| CAS DataBase Reference | 4549-32-0(CAS DataBase Reference) |
| FDA UNII | ES9U6BR88X |
| NIST Chemistry Reference | Octane, 1,8-dibromo-(4549-32-0) |
| EPA Substance Registry System | Octane, 1,8-dibromo- (4549-32-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Customs code | 29033990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Octane, 1,8-dibromo-Octane, 1,8-dibromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29033990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
1,8-Dibromooctane is used as an additive in the preparation poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl]]:[6,6]-phenylC71-butyric acid methyl ester, which finds application in the fabrication of organic photovoltaics (OPVs). Further, it is used in the preparation of (1,4-bis-(8-bromooctyloxy)-benzene).