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| CAS No.: | 7623-09-8 |
|---|---|
| Name: | 2-Chloropropionyl chloride |
| Article Data: | 40 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H4Cl2O |
| Molecular Weight: | 126.97 |
| Synonyms: | 2-Chloropropionyl chloride |
| EINECS: | 231-540-7 |
| Density: | 1.291 g/cm3 |
| Melting Point: | -71 °C |
| Boiling Point: | 110.1 °C at 760 mmHg |
| Flash Point: | 41.8 °C |
| Solubility: | MAY DECOMPOSE |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-35-37 |
| Safety: | 26-36/37/39-45-25-16 |
| Transport Information: | UN 2920 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 1.37910 |
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| Conditions | Yield |
|---|---|
| With thionyl chloride In hexane for 3h; Heating; | 95% |
| With pyridine; phosgene at 55℃; for 1h; Reagent/catalyst; Temperature; | 95.4% |
| With thionyl chloride In N,N-dimethyl-formamide at 85℃; for 2h; | 85% |
- 849585-22-4
LACTIC ACID
- 7623-09-8
2-chloropropionyl chloride
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride | |
| With phosphorus pentachloride; water |
| Conditions | Yield |
|---|---|
| With iodine; chlorine | |
| With sulfuryl dichloride; iodine |
| Conditions | Yield |
|---|---|
| With chlorine at 0 - 5℃; Irradiation.unter UV-Bestrahlung; | |
| With sulfuryl dichloride; dibenzoyl peroxide | |
| With sulfuryl dichloride; dibenzoyl peroxide |
- 76-00-6
1,1,1-trichloropropan-2-ol
A
- 7623-09-8
2-chloropropionyl chloride
B
- 21400-25-9
1,1,2-trichloropropene
C
- 78049-86-2
1,1,1-trichloroisopropyl α-chloropropionate
| Conditions | Yield |
|---|---|
| With phosphorus pentoxide Heating; Yield given. Yields of byproduct given; | |
| With phosphorus pentoxide Product distribution; Heating; | |
| With phosphorus pentoxide Heating; Yield given; |
- 7791-25-5
sulfuryl dichloride
- 7553-56-2
iodine
- 79-03-8
propionyl chloride
- 7623-09-8
2-chloropropionyl chloride
- 7623-09-8
2-chloropropionyl chloride
- 13120-10-0
N,N'-diisopropyl selenourea
| Conditions | Yield |
|---|---|
| With pyridine In tetrahydrofuran at 0℃; | 100% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 100% |
- 553-03-7
3,4-dihydro-2(1H)-quinolone
- 7623-09-8
2-chloropropionyl chloride
- 62618-75-1
6-(2-chloropropanoyl)-3,4-dihydroquinolin-2(1H)-one
| Conditions | Yield |
|---|---|
| With aluminium trichloride In carbon disulfide at 50℃; for 2h; Friedel-Crafts reaction; | 100% |
| Stage #1: 2-chloropropionyl chloride With carbon disulfide; aluminum (III) chloride for 0.25h; Inert atmosphere; Cooling with ice; Stage #2: 3,4-dihydro-2(1H)-quinolone for 2.75h; Reflux; | 91% |
| aluminium trichloride In carbon disulfide | |
| AlCl3 In CS2 | 27.7 g (91%) |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 16h; | 100% |
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Specification
The 2-Chloropropionyl chloride, with the cas registry number 7623-09-8, is a kind of clear colorless to light yellow liquid, with the product categories including Acid Halides; Carbonyl Compounds; Organic Building Blocks. Then it is a kind of chemical which is incompatible with strong oxidizing agents,strong bases, amines,alcohols. As to its usage, it could be used as the intermediate in the pharmaceutic, dyes, pesticide and also as the crops protective agent. What's more, it could be prepared by the 1,2-dichloropropane.
The physical properties of this chemical are below: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.61; (6)ACD/BCF (pH 7.4): 3.61; (7)ACD/KOC (pH 5.5): 87.32; (8)ACD/KOC (pH 7.4): 87.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 25.63 cm3; (15)Molar Volume: 98.3 cm3; (16)Polarizability: 10.16 ×10-24 cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 41.8 °C; (20)Enthalpy of Vaporization: 34.88 kJ/mol; (21)Boiling Point: 110.1 °C at 760 mmHg; (22)Vapour Pressure: 24.1 mmHg at 25°C; (23)Exact Mass: 125.96392; (24)MonoIsotopic Mass: 125.96392; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 6; (27)Formal Charge: 0; (28)Complexity: 61.8.
When you are using this chemical, you should be very cautious. For being a kind of corrosive chemical, it may destroy living tissue on contact. Then it is flammable which may causes severe burns. Besides, it is irritating to respiratory system.
Therefore, you should be better take the following advices to protect yourself. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). And you could keep away from sources of ignition - No smoking and then remember to avoid contacting with eyes.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(C(=O)Cl)Cl
(2)InChI: InChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3
(3)InChIKey: JEQDSBVHLKBEIZ-UHFFFAOYSA-N