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Basic Information
| CAS No.: | 821-10-3 |
|---|---|
| Name: | 1,4-Dichloro-2-butyne |
| Molecular Structure: | |
|
|
|
| Formula: | C4H4Cl2 |
| Molecular Weight: | 122.982 |
| Synonyms: | 2-Butyne, 1,4-dichloro-;1,4-Dichlorobutyne;4-01-00-00973 (Beilstein Handbook Reference);1,4-Dichlorobut-2-yne; |
| EINECS: | 212-474-8 |
| Density: | 1.222 g/cm3 |
| Melting Point: | -34.5ºC |
| Boiling Point: | 165.5 °C at 760 mmHg |
| Flash Point: | 70.7 °C |
| Appearance: | Clear brown liquid. |
| Hazard Symbols: |
 Xi, T
|
| Risk Codes: | 36/37/38-40-23/24/25 |
| Safety: | 26-36-45-38-36/37/39-28A |
| Transport Information: | UN 2810 |
| PSA: | 0.00000 |
| LogP: | 1.46740 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride | 84% |
| With thionyl chloride In pyridine | 82% |
| With pyridine; thionyl chloride at 0 - 20℃; for 2h; | 56% |
- 16669-40-2
but-2-yne-1,4-bisoxycarbonylchloride
- 821-10-3
1,4-Dichloro-2-butyne
Conditions
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide In 1,2-dichloro-ethane at 80℃; | 76% |
Conditions
| Conditions | Yield |
|---|---|
| With thionyl chloride; triethylamine In dichloromethane at 10 - 20℃; | A 54% B 18% |
| With pyridine; thionyl chloride In benzene at 10 - 20℃; for 6h; | A 49% B 24% |
| With pyridine; thionyl chloride In benzene at 0 - 20℃; | A 40% B 17% |
| With pyridine; thionyl chloride In benzene at 0 - 20℃; | A 35% B n/a |
| With pyridine; thionyl chloride In benzene 1) 10 - 20 deg C, 7 h, 2) overnight; | A 26% B 30% |
- 110-86-1
pyridine
- 110-65-6
1,4-dihydroxybut-2-yne
- 7719-09-7
thionyl chloride
- 821-10-3
1,4-Dichloro-2-butyne
Conditions
| Conditions | Yield |
|---|---|
| at 10 - 20℃; |
...Expand
- 110-65-6
1,4-dihydroxybut-2-yne
- 10026-13-8, 874483-75-7
phosphorus pentachloride
- 71-43-2
benzene
- 821-10-3
1,4-Dichloro-2-butyne
...Expand
Conditions
| Conditions | Yield |
|---|---|
| at 80℃; |
- 110-65-6
1,4-dihydroxybut-2-yne
- 7647-01-0
hydrogenchloride
- 64-19-7
acetic acid
A
- 7166-52-1
(Z)-2,4-dichloro-but-2-en-1-ol
B
- 16346-49-9
3,4-dichloro-but-2-en-1-ol
C
- 821-10-3
1,4-Dichloro-2-butyne
Conditions
| Conditions | Yield |
|---|---|
| at 100 - 110℃; |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With dihydrogen hexachloroplatinate In tetrahydrofuran at 85℃; for 4h; | 100% |
| With platinum(IV) oxide In toluene at 100℃; for 24h; diastereoselective reaction; | 75% |
| dihydrogen hexachloroplatinate | |
| With dihydrogen hexachloroplatinate at 170℃; for 1h; |
- 5707-04-0
Phenylselenyl chloride
- 821-10-3
1,4-Dichloro-2-butyne
- 85972-08-3
(E)-2-(Phenylseleno)-1,3,4-trichlorobut-2-ene
Conditions
| Conditions | Yield |
|---|---|
| In acetonitrile at 25℃; for 20h; | 100% |
- 821-10-3
1,4-Dichloro-2-butyne
Conditions
| Conditions | Yield |
|---|---|
| With copper dichloride; palladium dichloride In butan-1-ol; benzene at 25℃; for 24h; | 100% |
| With copper dichloride; palladium dichloride In methanol; carbon dioxide at 40℃; under 120012 Torr; for 8h; | 98% |
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1,4-Dichloro-2-butyne
Chemistry
Molecular Formula:C4H4Cl2
Molar mass:122.98056g/mol
Structure of 1,4-Dichloro-2-butyne(821-10-3):
Synonyms of 1,4-Dichloro-2-butyne(821-10-3):1,4-DICHLORO-2-BUTYNE;1,4-Dichlorobutyne;
2-Butyne, 1,4-dichloro-;1,4-Dichlorobut-2-yne
Density:1.222 g/cm3
Flash Point:70.7 °C
Boiling Point:165.5 °C at 760 mmHg
Index of Refraction:1.474
Vapour Pressure:2.46 mmHg at 25°C
Melting point:165-168°C
storage temp:2-8°C
Sensitive:Light Sensitive
Molar mass:122.98056g/mol
Structure of 1,4-Dichloro-2-butyne(821-10-3):
Synonyms of 1,4-Dichloro-2-butyne(821-10-3):1,4-DICHLORO-2-BUTYNE;1,4-Dichlorobutyne;
2-Butyne, 1,4-dichloro-;1,4-Dichlorobut-2-yne
Density:1.222 g/cm3
Flash Point:70.7 °C
Boiling Point:165.5 °C at 760 mmHg
Index of Refraction:1.474
Vapour Pressure:2.46 mmHg at 25°C
Melting point:165-168°C
storage temp:2-8°C
Sensitive:Light Sensitive
Toxicity Data With Reference
| 1. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02969 . |
Other: The toxicological properties have not been fully investigated.See actual entry in RTECS for complete information.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. When heated to decomposition it emits toxic fumes of Cl−. Probably a dangerous fire and explosion hazard.See also ACETYLENE COMPOUNDS and ALKYNES and CHLORINATED HYDROCARBONS, ALIPHATIC.
Hazard Codes:Xi
,T
Risk Statements:
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
39: Danger of very serious irreversible effects
40: Limited evidence of a carcinogenic effect
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
38: In case of insufficient ventilation, wear suitable respiratory equipment
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Hazard Codes:Xi
,TRisk Statements:
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
39: Danger of very serious irreversible effects
40: Limited evidence of a carcinogenic effect
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
38: In case of insufficient ventilation, wear suitable respiratory equipment
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
Stability and Reactivity of 1,4-Dichloro-2-butyne(821-10-3):
Conditions to Avoid:Incompatible materials, light.
Incompatibilities with Other Materials:strong bases,strong oxidizing agents.
Hazardous Decomposition Products: carbon dioxide,hydrogen bromide,Carbon monoxide.
Conditions to Avoid:Incompatible materials, light.
Incompatibilities with Other Materials:strong bases,strong oxidizing agents.
Hazardous Decomposition Products: carbon dioxide,hydrogen bromide,Carbon monoxide.