Butane,1-chloro-
1-Chlorobutane
CAS: 109-69-3
Molecular Formula: C4H9Cl
Butane,1-chloro- - Names and Identifiers
| Name | 1-Chlorobutane |
| Synonyms | NBC wormer Chlorobutane 1-Chlorbutan 1-Butylchlorid 1-Chlorobutane 1-chloro-butan BUTYL CHLORIDE n-Butyl chloride Butane,1-chloro- chloruredebutyle Chlorure de butyle chloruredebutyle(french) |
| CAS | 109-69-3 |
| EINECS | 203-696-6 |
| InChI | InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3 |
| InChIKey | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
Butane,1-chloro- - Physico-chemical Properties
| Molecular Formula | C4H9Cl |
| Molar Mass | 92.57 |
| Density | 0.886 g/mL at 25 °C (lit.) |
| Melting Point | -123 °C (lit.) |
| Boling Point | 77-78 °C (lit.) |
| Flash Point | -12°F |
| Water Solubility | 0.5 g/L (20 ºC) |
| Solubility | water: soluble0.11g/L at 20°C |
| Vapor Presure | 80.1 mm Hg ( 78.4 °C) |
| Vapor Density | 3.2 (vs air) |
| Appearance | Viscous Liquid |
| Color | White to pink to light brown |
| Odor | Unpleasant odor |
| Merck | 14,1560 |
| BRN | 1730909 |
| Storage Condition | 2-8°C |
| Stability | Stable. Highly flammable. Note low flash point and wide explosion limit range. Incompatible with strong oxidizing agents, strong bases. |
| Explosive Limit | 1.8-10.1%(V) |
| Refractive Index | n20/D 1.402(lit.) |
| Physical and Chemical Properties | Density 0.886 melting point -123°C boiling point 77-78°C refractive index 1.4014-1.4034 flash point -12°C water-soluble 0.5g/L (20°C) |
| Use | For oil, rubber, natural resin solvents, pharmaceutical intermediates, co-catalyst |
Butane,1-chloro- - Risk and Safety
| Hazard Symbols | F - Flammable |
| Risk Codes | 11 - Highly Flammable |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. |
| UN IDs | UN 1127 3/PG 2 |
| WGK Germany | 2 |
| RTECS | EJ6300000 |
| FLUKA BRAND F CODES | 1-10 |
| TSCA | Yes |
| HS Code | 29031990 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 2.67 g/kg (Smyth) |
Butane,1-chloro- - Upstream Downstream Industry
| Raw Materials | Hydrochloric acid Hydrochloric acid 1-Butanol |
Butane,1-chloro- - Nature
Open Data Verified Data
colorless liquid. Insoluble in water. Soluble in ethanol, ether. Its vapor and air to form an explosive mixture, fire, high heat caused by combustion explosion. A strong reaction with an oxidizing agent can occur.
Last Update：2024-01-02 23:10:35
Butane,1-chloro- - Preparation Method
Open Data Verified Data
prepared by co-heating n-butanol with concentrated hydrochloric acid in the presence of anhydrous zinc chloride.
Last Update：2022-01-01 09:24:37
Butane,1-chloro- - Use
Open Data Verified Data
used as a solvent and as a butylation reagent in organic synthesis. It can also be used in the manufacture of butyl cellulose, insect repellent, celluloid, phenylbutazone and the like.
Last Update：2022-01-01 09:24:37
Butane,1-chloro- - Safety
Open Data Verified Data
rat oral LDso: 2670mg/kg. Inhalation of higher concentrations can cause dizziness, drowsiness and even Coma. Mild eye and skin irritation. Store in a cool, ventilated warehouse. Keep away from fire and heat source. Protection from direct sunlight. Keep the container sealed. Should be stored separately from the oxidant.
Last Update：2022-01-01 09:24:37
Butane,1-chloro- - Security information
| hazard category code | 11 |
| safety instructions | 9-16-29 |
| dangerous goods transport number | UN 1127 3/PG 2 |
| WGK Germany | 2 |
| RTECS number | EJ6300000 |
| F | 1-10 |
| auto-ignition temperature | 860 °F |
| TSCA | Yes |
| HazardClass | 3 |
| PackingGroup | II |
| customs code | 29031990 |
| toxic substance data | 109-69-3(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 2.67 g/kg (Smyth) |
Last Update：2024-04-10 22:29:15
Butane,1-chloro- - Reference Information
| LogP | 2.66 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | used as a solvent and butylation reagent in organic synthesis, can also be used in the manufacture of butyl cellulose, insect repellent and celluloid, phenylbutazone and so on 1-chloro-n-butane is the raw material for the preparation of bactericide mycloxazole and myxazole. In the pharmaceutical industry, it is used as a raw material for the synthesis of animal insect repellents and phenylbutazone drugs, and in organic synthesis, it is used as a raw material for the synthesis of dibutyl aluminum laurate, butyl cellulose and the like. In addition, it is also used as a catalyst for ethylene polymerization, dewaxing agent and other organic synthesis. used as solvent, also used in organic synthesis used as solvent and butylation reagent in organic synthesis, can also be used in the manufacture of butyl cellulose, insect repellent, celluloid, phenylbutazone, etc, rubber, natural resin solvent, pharmaceutical intermediates, co-catalyst and so on 1-chloro-n-butane is the raw material for the preparation of bactericide mycloxazole and myxazole. In the pharmaceutical industry, it is used as a raw material for the synthesis of animal insect repellents and phenylbutazone drugs, and in organic synthesis, it is used as a raw material for the synthesis of dibutyl aluminum laurate, butyl cellulose and the like. In addition, it is also used as a catalyst for ethylene polymerization, dewaxing agent and other organic synthesis. Used as a solvent, also used in organic synthesis organic synthesis. A butyl agent for the preparation of butyl cellulose. Solvent. |
| production method | from n-butanol and hydrogen chloride reaction: n-butanol and concentrated hydrochloric acid in the presence of zinc chloride heating Reflux reaction, the reaction was washed with water, dried, fractionated and the 75-78.5 °c fraction was collected as the finished product. Raw material consumption quota: n-butanol (95%)1600kg/t, hydrochloric acid (30%)2780kg/t. The preparation method is to react butanol with hydrogen chloride in the presence of catalyst ZnCl2, and wash, dry and fractionate after the reaction. Reaction equation: ch3ch2ch2oh + HCl[ZnCl2]→ CH3CH2CH2CH2Cl + H2O |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2670 mg/kg; Not reported-mouse LD50: 5600 mg/kg |
| stimulation data | Skin-rabbits 10 mg/24 h mild; eye-rabbit 500 mg/24 h mild |
| explosive hazard characteristics | explosive mixture with air; Reaction with divalent metal to produce explosive products. |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Thermal decomposition of toxic phosgene; toxic chloride smoke from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, carbon dioxide, foam, water mist |
| Occupational Standard | TWA 1.5 mg/m3; Tel 1.5 mg/m3 |
| spontaneous combustion temperature | 860 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
Butane,1-chloro- - Nature
| melting point | -123°C (lit.) |
| boiling point | 77-78°C (lit.) |
| density | 0.886 g/mL at 25°C (lit.) |
| vapor density | 3.2 (vs air) |
| Vapor pressure | 80.1mm Hg ( 78.4 °C) |
| refractive index | n20/D 1.402(lit.) |
| flash point | -12 °F |
| storage conditions | 2-8°C |
| solubility | water: soluble0.11g/L at 20°C |
| morphology | Viscous Liquid |
| color | White to pink to light brown |
| Odor | Unpleasant odor |
| explosion limit value (explosive limit) | 1.8-10.1%(V) |
| water solubility | 0.5 g/L (20 °C) |
| Merck | 14,1560 |
| BRN | 1730909 |
| stability | Stable. Highly flammable. Note low flash point and wide explosion limit range. Incompatible with strong oxidizing agents, strong bases. |
| InChIKey | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
Last Update：2024-04-10 22:29:15
Butane,1-chloro- - Uses and synthesis methods
| production method | is obtained by the reaction of n-butanol and hydrogen chloride: n-butanol and concentrated hydrochloric acid are heated and refluxed in the presence of zinc chloride, the reactants are washed with water, dried, fractionated, and the 75-78.5 ℃ fraction is collected as the finished product. Raw material consumption quota: n-butanol (95%)1600 kg/t, hydrochloric acid (30%)2780 kg/t. |
| production method | The preparation method is to react butanol and hydrogen chloride in the presence of catalyst ZnCl2, and wash, dry, and fractionate the product after the reaction. Reaction equation: CH3CH2CH2CH2OH + HCl[ZnCl2]& rarr;CH3CH2CH2CH2Cl + H2O |
| category | flammable liquid |
| toxicity classification | Poisoning |
| acute toxicity | oral administration-rat LD50: 2670 mg/kg; Not reported-mouse LD50: 5600 mg/kg |
| Stimulus data | skin-rabbit 10 mg/24 hours mild; eyes-rabbit 500 mg/24 hours mild |
| explosive hazard characteristics | It is explosive when mixed with air; it reacts with divalent metals to form explosive products. |
| flammability hazard characteristics | It is flammable in case of open flame, high temperature, and oxidant; it decomposes toxic phosgene when heated; combustion produces toxic chloride smoke |
| storage and transportation characteristics | The warehouse is ventilated and dry at low temperature; it is stored separately from oxidants and acids |
| fire extinguishing agent | dry powder, carbon dioxide, foam, water mist |
| occupational standards | TWA 1.5 mg/m3; STEL 1.5 mg/m3 |
Last Update：2024-04-09 19:04:55
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Raw Materials for Butane,1-chloro-