3-Bromopropyne
Propargyl bromide
CAS: 106-96-7
Molecular Formula: C3H3Br
3-Bromopropyne - Names and Identifiers
| Name | Propargyl bromide |
| Synonyms | 3-BROMOPROPYNE 3-Bromopropyne 3-bromo-propyn G-BROMOALLYLENE 1-Brom-2-propin 3-bromo-1-propyn 1-Bromo-2-propyne Propargyl bromide 3-BROMO-1-PROPYNE 3-bromoprop-1-yne 3-Bromo-1-propyne 2-Propynyl bromide Propargylbromideintoluene Propargyl bromide solution |
| CAS | 106-96-7 |
| EINECS | 203-447-1 |
| InChI | InChI=1/C3H3Br/c1-2-3-4/h1H,3H2 |
| InChIKey | YORCIIVHUBAYBQ-UHFFFAOYSA-N |
3-Bromopropyne - Physico-chemical Properties
| Molecular Formula | C3H3Br |
| Molar Mass | 118.96 |
| Density | 1.38g/mLat 20°C |
| Melting Point | -61°C |
| Boling Point | 97°C |
| Flash Point | 65°F |
| Water Solubility | Miscible with ethanol, ether, benzene, carbon tetrachloride and chloroform. Immiscible with water. |
| Vapor Presure | 64.6mmHg at 25°C |
| Appearance | Liquid |
| Color | Colorless - Yellow |
| Exposure Limit | ACGIH: TWA 20 ppmOSHA: Ceiling 300 ppm; TWA 200 ppmNIOSH: IDLH 500 ppm; TWA 100 ppm(375 mg/m3); STEL 150 ppm(560 mg/m3) |
| BRN | 605309 |
| Storage Condition | 2-8°C |
| Sensitive | Light Sensitive |
| Refractive Index | n20/D 1.494 |
| Physical and Chemical Properties | trait light yellow highly toxic liquid. |
| Use | For Organic synthesis |
3-Bromopropyne - Risk and Safety
| Risk Codes | R60 - May impair fertility R61 - May cause harm to the unborn child R20/21 - Harmful by inhalation and in contact with skin. R25 - Toxic if swallowed R63 - Possible risk of harm to the unborn child R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable R67 - Vapors may cause drowsiness and dizziness R65 - Harmful: May cause lung damage if swallowed R48/20 - |
| Safety Description | S53 - Avoid exposure - obtain special instructions before use. S16 - Keep away from sources of ignition. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection S28A - S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 2345 3/PG 2 |
| WGK Germany | 3 |
| RTECS | UK4375000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29033990 |
| Hazard Note | Highly Flammable/Toxic/Corrosive |
| Hazard Class | 3 |
| Packing Group | II |
3-Bromopropyne - Nature
Open Data Verified Data
colorless liquid. The relative density was 1. 579(9 ℃). Boiling point of 88~90 deg C. Refractive index 1.4922. Flash point 10 °c. Soluble in benzene, ether, ethanol and chloroform.
Last Update：2024-01-02 23:10:35
3-Bromopropyne - Preparation Method
Open Data Verified Data
prepared from the reaction of propiolic alcohol with phosphorus tribromide.
Last Update：2022-01-01 10:15:16
3-Bromopropyne - Use
Open Data Verified Data
for the synthesis of various acetylene derivatives; Pharmaceutical industry for the manufacture of anti-fungal drug chlorpropyne iodine.
Last Update：2022-01-01 10:15:16
3-Bromopropyne - Safety
Open Data Verified Data
- guinea pig oral LD50 0.029mg/kg, toxic by mistake or inhalation. The vapor is very irritating and can cause harm to eyes, nose and skin. This product is a strong lacrimal agent.
- glass bottle outer wooden box or calcium plastic box reinforcement liner. Store in a cool, dry, ventilated warehouse. Keep away from heat and fire sources and avoid direct sunlight. The oxidant and other conflicting articles Isolation are stored and transported.
Last Update：2022-01-01 10:15:17
3-Bromopropyne - 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) |
| Introduction | 3-bromopropyne, also known as 3-bromo-1-propyne; Propargyl bromide; Bromopropyne, etc. The molecular formula is C3H3Br, the molecular weight is 118.96, the standard case is colorless liquid, soluble in ethanol, ether, benzene and chloroform, for soil pesticides, chemical intermediates. However, the medical chemical intermediates containing bromine will have a trace of decomposition, after decomposition, its activity is reduced, affecting the use effect, from the scale of industrialization, the characteristics of the above methods make the mass production subject to certain constraints, it is not conducive to industrialization. Based on this, it is necessary to develop 3-bromopropyne having high activation. |
| Application | 3-bromopropyne is mainly used for soil insecticides, chemical intermediates, it can be used to prepare an alkynylated cardanol phenolic resin/titanium dioxide composite material, and to prepare a composite Immobilized enzyme carrier material. |
| preparation | a method for activating 3-bromopropyne, comprising the following preparation steps: 1) hydrogen bromide solvent was added to the reaction kettle, CuBr and Cu catalyst were added, stirred and heated in a sealed environment, and propargyl alcohol was added at the same time to react, raise the temperature, and react; 2) in step 1) in the process, it is filtered by a filtering device, and silver bicarbonate powder is added; 3) the finished 3-bromopropyne is obtained by distillation; 4) silver bicarbonate powder is added again, A low-water product, 3-bromopropyne, is obtained which is highly activatable and does not easily decompose. |
| Use | use in organic synthesis propargyl bromide is an intermediate of proparthrin. for soil insecticides, chemical intermediates. for the synthesis of various acetylene derivatives; Pharmaceutical industry for the manufacture of anti-fungal drug chlorpropyne iodine. Used in the manufacture of propargylamine (alkenyl substitution). |
| production method | the preparation method is to add hydrogen bromide and solvent in the reaction flask, in the presence of CuBr and Cu catalyst, under stirring, propargyl alcohol was added dropwise, and after dropping, the reaction was slightly heated and then post-treated to obtain propargyl bromide by distillation. Reaction equation: CH C- CH2OH HBr → CH C- CH2Br H2O or reaction with propargyl alcohol and (PhO)3PBr2 in the presence of pyridine can also give the product. Or a small amount of pyridine is added to the dried propargyl alcohol, and a solution of phosphorus tribromide and a small amount of pyridine is added dropwise at 0 ° C. Under stirring, and then stirred for 20min after dropping, and the product is distilled under reduced pressure. Reaction equation: CH ≡ C- CH2OH PBr3 → CH ≡ C- CH2Br obtained from the reaction of propargyl alcohol with phosphorus bromide. Pyridine was added to propargyl alcohol under cooling, and phosphorus tribromide was slowly added dropwise with stirring at -5 °c, and the reaction temperature was maintained below 0 °c. After addition, stirring was continued for 15min. Then, the whole distillate was collected by distillation under reduced pressure and fractionated once under normal pressure to obtain a finished product. |
| category | flammable liquid |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LDL0: 53 mg/kg |
| explosive hazard characteristics | mixture with air to form explosive mixture |
| flammability hazard characteristics | flammable; Thermally decomposed toxic bromide gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| fire extinguishing agent | water, foam, dry powder, carbon dioxide, sand |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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