Octane,1-bromo-
1-Bromooctane
CAS: 111-83-1
Molecular Formula: C8H17Br
Octane,1-bromo- - Names and Identifiers
| Name | 1-Bromooctane |
| Synonyms | 1-Bromoctan Bromooctane BROMOOCTANE 1-Octylbromid 1-BROMOOCTANE N-bromooctane Octoicbromide OCTYL BROMIDE 1-bromo-octan Caprylbromide 1-Bromooctane 1-OCTYLBROMIDE Capryl bromide 1-Octylbromide 1-Bromo octane N-OCTYL BROMIDE N-Octyl bromide Caprylicbromide Octane,1-bromo- 1-Bromo-n-octane AKOS BBS-00004404 |
| CAS | 111-83-1 |
| EINECS | 203-912-9 |
| InChI | InChI=1/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3 |
| InChIKey | VMKOFRJSULQZRM-UHFFFAOYSA-N |
Octane,1-bromo- - Physico-chemical Properties
| Molecular Formula | C8H17Br |
| Molar Mass | 193.12 |
| Density | 1.118 g/mL at 25 °C (lit.) |
| Melting Point | -55 °C |
| Boling Point | 201 °C (lit.) |
| Flash Point | 173°F |
| Water Solubility | insoluble |
| Solubility | insoluble |
| Vapor Presure | 0.34 mm Hg ( 25 °C) |
| Vapor Density | 6.7 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to yellow-brown |
| Merck | 14,6764 |
| BRN | 1733136 |
| Storage Condition | Store below +30°C. |
| Refractive Index | n20/D 1.452(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. melting point -55 ℃ boiling point 198~200 ℃ relative density 1.108 refractive index 1.4503 solubility: insoluble in water, miscible with ethanol and ether. |
| Use | Mainly used in organic synthesis |
Octane,1-bromo- - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S60 - This material and its container must be disposed of as hazardous waste. |
| UN IDs | UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR) |
| WGK Germany | 3 |
| RTECS | RG8575000 |
| TSCA | Yes |
| HS Code | 29033036 |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 4.49 ml/kg (Smyth) |
Octane,1-bromo- - Nature
Open Data Verified Data
colorless liquid. Melting Point -55 °c. Boiling Point 198~200 deg C. The relative density was 1. 108. Refractive index (5) 4503. Insoluble in water, miscible with ethanol and ether.
Last Update：2024-01-02 23:10:35
Octane,1-bromo- - Preparation Method
Open Data Verified Data
after sulfuric acid was mixed with sodium bromide. Reflux was carried out by addition of N-octanol. The crude product obtained by the reaction was washed with sulfuric acid. The product was washed with water, washed with 10% Na2 C03 solution, dried over anhydrous sodium sulfate, and distilled.
Last Update：2022-01-01 10:14:52
Octane,1-bromo- - Use
Open Data Verified Data
raw materials for organic synthesis.
Last Update：2022-01-01 10:14:52
Octane,1-bromo- - Safety
Open Data Verified Data
lOOmL glass bottle, external use wooden box or carton protection. Store in a cool, dry, ventilated warehouse.
Last Update：2022-01-01 10:14:53
Octane,1-bromo- - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. Intermediates of bacteriophage. mainly used in organic synthesis organic synthesis intermediates. |
| production method | from the reaction of octanol and hydrobromic acid. After sodium bromide is completely dissolved with sulfuric acid, add n-octanol, heat reflux for 7-8H, dilute with water after cooling, separate the organic phase, wash with water, concentrated sulfuric acid, water, 10% sodium carbonate solution successively, dry with anhydrous sodium sulfate. The finished product is obtained by distillation of the 196-200 °c, or 91-93 °c (2.93kPa) fraction. The yield was more than 90%. Purposes: for organic synthesis. Intermediates of bacteriophage. |
| category | spontaneous combustion substance |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 5020 mg/kg |
| flammability hazard characteristics | toxic bromide fumes from thermal decomposition |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Closed storage |
| extinguishing agent | water, dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
Last Update：2024-04-09 20:52:54
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