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Cas Database |
| Name |
3-Chloropropionyl chloride |
EINECS | 210-890-4 |
| CAS No. | 625-36-5 | Density | 1.296 g/cm3 |
| PSA | 17.07000 | LogP | 1.38070 |
| Solubility | reacts with water | Melting Point |
-32 °C |
| Formula | C3H4Cl2O | Boiling Point | 144.9 °C at 760 mmHg |
| Molecular Weight | 126.97 | Flash Point | 61.7 °C |
| Transport Information | UN 3390 6.1/PG 1 | Appearance | Clear colorless to dark brown liquid |
| Safety | 23-26-36/37/39-45-38-16-8 | Risk Codes | 14-22-26-34-35-10 |
| Molecular Structure |
|
Hazard Symbols |
 T+
|
| Synonyms |
Propionylchloride, 3-chloro- (6CI,7CI,8CI);(Chloromethyl)acetyl chloride;3-Chloropropanoyl chloride;3-Chloropropionic acid chloride;NSC 84180;b-Chloropropanoylchloride;b-Chloropropionic acid chloride;b-Chloropropionyl chloride;w-Chloropropanoyl chloride;w-Chloropropionyl chloride; |
Article Data | 67 |
3-Chloropropionyl chloride Synthetic route
| Conditions | Yield |
|---|---|
| With bis(trichloromethyl) carbonate In toluene at 25℃; for 8h; Reagent/catalyst; Temperature; | 98.5% |
| With thionyl chloride | 63% |
| With phosphorus trichloride |
| Conditions | Yield |
|---|---|
| With bis(trichloromethyl) carbonate; N,N-dimethylpiperidine-4-carboxamide hydrochloride at 25℃; for 10h; Reagent/catalyst; Large scale; | 98% |
| With phosphorus pentachloride In benzene at 20℃; for 10h; Chlorination; | 87% |
| With tetrachloromethane; sulfuryl dichloride | |
| With tetrachloromethane; phosphorus pentachloride | |
| With thionyl chloride |
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide at 80℃; under 2068.65 Torr; for 0.416667h; Reagent/catalyst; Pressure; | A 4% B 94% |
| With trichlorophosphate In N,N-dimethyl-formamide at 80℃; for 0.00833333h; Reagent/catalyst; Temperature; | A 91% B 6% |
| With thionyl chloride; N,N-dimethyl-formamide In neat (no solvent) at 60℃; for 0.0166667h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Flow reactor; |
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide at 60℃; for 0.0166667h; Reagent/catalyst; | A 7% B 82% C 11% |
| Conditions | Yield |
|---|---|
| With phosgene; N,N-dimethyl-formamide at 70℃; for 10h; | 80% |
| With N,N-dimethyl-formamide | |
| With phosgene In N,N-dimethyl-formamide at 70℃; for 40h; | |
| With phosgene In N,N-dimethyl-formamide at 70℃; for 40h; | 200 g |
| With thionyl chloride In N,N-dimethyl-formamide at 80℃; for 0.416667h; Concentration; Reagent/catalyst; |
- 676-83-5
methyldichlorophosphane
- 79-10-7
acrylic acid
A
- 15171-48-9
2-methyl-2,5-dioxo-1,2-oxaphospholane
B
- 625-36-5
2-chloropropionyl chloride
| Conditions | Yield |
|---|---|
| In paraffin | A n/a B 76% |
| A n/a B 76% |
- 23270-34-0
3-(chloro-methyl-phosphinoyl)-butyryl chloride
- 79-10-7
acrylic acid
B
- 625-36-5
2-chloropropionyl chloride
| Conditions | Yield |
|---|---|
| A n/a B 70% |
- 15171-48-9
2-methyl-2,5-dioxo-1,2-oxaphospholane
- 625-36-5
2-chloropropionyl chloride
| Conditions | Yield |
|---|---|
| 70% |
| Conditions | Yield |
|---|---|
| With aluminium trichloride; toluene | |
| With carbon disulfide at -5 - -4℃; |
| Conditions | Yield |
|---|---|
| With chlorine at 0 - 5℃; Irradiation.unter UV-Bestrahlung; | |
| With sulfuryl dichloride; dibenzoyl peroxide | |
| With sulfuryl dichloride; dibenzoyl peroxide |
3-Chloropropionyl chloride Chemical Properties
Molecular Structure of Propanoylchloride, 3-chloro- (CAS No.625-36-5):
Molecular Formula: C3H4Cl2O
Molecular Weight: 126.9693
IUPAC Name: 3-Chloropropanoyl chloride
CAS No: 625-36-5
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.437
Molar Refractivity: 25.67 cm3
Molar Volume: 97.9 cm3
Surface Tension: 32.2 dyne/cm
Density: 1.296 g/cm3
Flash Point: 61.7 °C
Enthalpy of Vaporization: 38.2 kJ/mol
Boiling Point: 144.9 °C at 760 mmHg
Vapour Pressure: 4.97 mmHg at 25°C
InChI: InChI=1/C3H4Cl2O /c4-2-1-3(5)6/h1-2H2
InChIKey: INUNLMUAPJVRME-UHFFFAOYAG
Std. InChI: InChI=1S/C3H4Cl2O /c4-2-1-3(5)6/h1-2H2
Std. InChIKey: INUNLMUAPJVRME-UHFFFAOYSA-N
Synonyms of Propanoylchloride, 3-chloro- (CAS No.625-36-5): .Beta.-Chloropropanoyl chloride ; .Beta.-Chloropropionoyl chloride ; .Beta.-Chloropropionyl chloride ; 3-Chloropropanoyl chloride ; 3-Chlorpropanoylchlorid ; Beta-Chloropropanoyl chloride ; Beta-Chloropropionoyl chloride ; Beta-Chloropropionyl chloride ; Chlorure de 3-chloropropanoyle ; Propanoyl chloride, 3-chloro-
Product Categories: Halogen compounds;Acid Halides;Carbonyl Compounds;Organic Building Blocks
3-Chloropropionyl chloride Safety Profile
Hazard Codes:
T+
Risk Statements:14-22-26-34-35-10
R14:Reacts violently with water.
R22:Harmful if swallowed.
R26:Very toxic by inhalation.
R34:Causes burns.
R35:Causes severe burns.
R10:Flammable.
Safety Statements:23-26-36/37/39-45-38-16-8
S23:Do not breathe vapour.
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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.)
S38:In case of insufficient ventilation, wear suitable respiratory equipment.
S16:Keep away from sources of ignition.
S8:Keep container dry.
RIDADR:UN 3390 6.1/PG 1
WGK Germany:1
F:21
HazardClass:6.1
PackingGroup:I
HS Code:29159080
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