HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cyclohexyl bromide
CYCLOHEXYL BROMIDE · Cyclohexylbromid · 1-Bromocyclohexane · Bromocylohexane · BROMOCYCLOHEXANE · bromo-cyclohexan · BroMocyclohexance · Cyclohexane,bromo-
Identifiers & Physical Properties
| CAS No. | 108-85-0 |
|---|---|
| Molecular formula | C6H11Br |
| Average molar mass | 163.06 g/mol |
| Monoisotopic mass | 162.00441 g/mol |
| SMILES | BrC1CCCCC1 |
| InChIKey | AQNQQHJNRPDOQV-UHFFFAOYSA-N |
| PubChem CID | 7960 |
| EC No. | 203-622-2 |
| DTXSID | DTXSID1044148 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 46 |
| Vapor pressure | 3.62 [mmHg] |
| Physical Description | Liquid with a penetrating odor[Merck Index] Colorless liquid with an unpleasant odor[Acros Organics MSDS] |
| Kovats Retention Index | 9691023970.2975984100913031288 |
| Melting point | -57°C |
| Boiling point | 166-167 °C (lit.) |
| Density | 1.324 g/mL at 25 °C (lit.) |
| Vapor density | 5.62 (vs air) |
| Refractive index | n20/D 1.495(lit.) |
| Flash point | 145 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Miscible with ethanol, ether, acetone, benzene and carbon tetrachloride.insoluble |
| Physical state | Liquid |
| Specific gravity | approximate 1.33 (20℃) |
| Color | Clear colorless to light yellow |
| Odor | Unpleasant Odor |
| Sensitivity | Air & Light Sensitive |
| Merck | 14,2730 |
| BRN | 1098373 |
| Henry's law constant | 7.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Dielectric constant | 7.9(25℃) |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | AQNQQHJNRPDOQV-UHFFFAOYSA-N |
| SMILES | BrC1CCCCC1 |
| CAS DataBase Reference | 108-85-0(CAS DataBase Reference) |
| FDA UNII | YA0UMS4RNY |
| NIST Chemistry Reference | Cyclohexane, bromo-(108-85-0) |
| EPA Substance Registry System | Cyclohexane, bromo- (108-85-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335-H227 |
| GHS precautionary statements | P210-P280-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn |
| Risk statements (R) | 36/37/38-20-18-52 |
| Safety statements (S) | 23-24/25-37/39-26 |
| Water hazard class (WGK) | 3 |
| RTECS number | GU7171700 |
| F | 8 |
| TSCA inventory status | TSCA listed |
| Customs code | 29035990 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Aquatic Chronic 2 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.WarningH227 (11.1%): Combustible liquid [Warning Flammable liquids]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (22.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 9 reports by companies.There are 4 notifications provided by 7 of 9 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatory information | Chemical: Cyclohexane, bromo-Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | May cause irritation[Acros Organics MSDS] See Chlorocyclohexane. See 1-Bromohexane. |
| Hazard Classes and Categories | Flam. Liq. 4 (11.1%)Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (66.7%)Aquatic Chronic 2 (22.2%) |
| F | 8 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | GU7171700 |
| Customs code | 29035990 |
| Risk statements (R) | 36/37/38-20-18-52 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 23-24/25-37/39-26 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315-H319-H335-H227 |
| REACH registrations | Active |
| Hazard class | Aquatic Chronic 2 |
| GHS precautionary statements | P210-P280-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
Bromocyclohexane has been used to study the ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane using vacuum ultraviolet mass-analyzed threshold ionization spectroscopy.
General Description
Axial conformer of bromocyclohexane forms inclusion complexes with 9,9′-bianthryl and exhibits a weak 1,3 diaxial Cl...H interaction. It participates in the alkylation reaction of of para-xylene in the presence of graphite as catalyst to yield hydrocarbon.
Preparation & Synthesis
Preparation
Bromocyclohexane is synthesized by the reaction of cycloethanol and hydrobromic acid.