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CAS No.: | 79-03-8 |
---|---|
Name: | Propionyl chloride |
Article Data: | 140 |
Cas Database | |
Molecular Structure: | |
Formula: | C3H5ClO |
Molecular Weight: | 92.5251 |
Synonyms: | Propionylchloride (6CI,8CI);Chloro ethyl ketone;NSC 83547;Propionic acid chloride; |
EINECS: | 201-170-0 |
Density: | 1.068 g/cm3 |
Melting Point: | -94 °C |
Boiling Point: | 75.5 °C at 760 mmHg |
Flash Point: | 11.7 °C |
Solubility: | reacts with water |
Appearance: | colorless liquid with a pungent odor |
Hazard Symbols: | F, C |
Risk Codes: | 11-14-34 |
Safety: | 9-16-26-45 |
Transport Information: | UN 1815 3/PG 2 |
PSA: | 17.07000 |
LogP: | 1.16180 |
propionic acid
propionyl chloride
Conditions | Yield |
---|---|
With thionyl chloride In N,N-dimethyl-formamide at 70 - 75℃; | 97% |
With N,N-dimethyl-formamide; trichlorophosphate at 100℃; | 93.7% |
Stage #1: propionic acid With chloroform; oxygen; N,N-dimethyl-formamide at 30℃; for 3h; Irradiation; Stage #2: at 30℃; for 2h; | 86% |
Conditions | Yield |
---|---|
With phosphorus trichloride at 40 - 50℃; 4-5h; | A 57.9% B n/a |
With phosphorus trichloride at 40 - 50℃; 4-5h; | A 46.4% B 18% |
trimethylsilyl propionate
chlorosulfonate de trimethylsilyle
A
propionyl chloride
B
trimethylsilyl 1-<(trimethylsiloxy)carbonyl>ethanesulfonate
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane for 12h; Mechanism; Heating; course is discussed; further trimethylsilyl carboxylates, aldehydes and ketones; | A n/a B 41% |
In 1,2-dichloro-ethane for 12h; Heating; | A n/a B 41% |
3,4-dichloro-(E)-3-hexene
A
propionyl chloride
B
1,1-Dichlorpropylhydroperoxid
Conditions | Yield |
---|---|
With hydrogenchloride; ozone; formic acid ethyl ester at -10 - 0℃; |
Conditions | Yield |
---|---|
at 20℃; |
tetrachloromethane
chlorine
propionic acid anhydride
A
propionyl chloride
Conditions | Yield |
---|---|
at -15 - -5℃; unter Lichtausschluss; |
3,3-dichloro-1,2-diphenylcyclopropene
propionic acid
A
propionyl chloride
B
diphenylcyclopropenone
Conditions | Yield |
---|---|
In chloroform-d1 for 0.25h; Inert atmosphere; |
pentan-3-one
A
2-chloro-3-pentanone
B
1-chloro-3-pentanone
C
2,3-Pentanedione
D
propionyl chloride
E
acetaldehyde
Conditions | Yield |
---|---|
With oxygen; chlorine at 23.84℃; under 830 - 980 Torr; UV-irradiation; |
pentan-3-one
A
2-chloro-3-pentanone
B
1-chloro-3-pentanone
C
4-penten-3-one
D
propionyl chloride
E
acetaldehyde
Conditions | Yield |
---|---|
With oxygen; chlorine at 236.84℃; under 700 - 950 Torr; UV-irradiation; |
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Reported in EPA TSCA Inventory.
1. Introduction of Propionyl chloride
Propionyl chloride, its Synonyms are Propionic acid chloride; Propionic chloride; Propanoyl chloride.
2. Properties of Propionyl chloride
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 1
Index of Refraction: 1.396
Molar Refractivity: 20.82 cm3
Molar Volume: 86.5 cm3
Surface Tension: 25.7 dyne/cm
Density: 1.068 g/cm3
Flash Point: 11.7 °C
Enthalpy of Vaporization: 31.67 kJ/mol
Boiling Point: 75.5 °C at 760 mmHg
Vapour Pressure: 105 mmHg at 25 °C
Appearance: colorless liquid with a pungent odor
Melting Point: -94 °C
storage temp.: Flammables area
Water Solubility: REACTS
FreezingPoint: -94 °C
Sensitive: Moisture Sensitive
Product Categories: Organics; Acid Halides; Carbonyl Compounds; Organic Building Blocks
3. Structure Descriptors of Propionyl chloride
Canonical SMILES: CCC(=O)Cl
InChI: InChI=1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3
InChIKey: RZWZRACFZGVKFM-UHFFFAOYSA-N
4. Safety Information of Propionyl chloride
A corrosive irritant to skin, eyes, and mucous membranes. Dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Reacts with water or steam to produce toxic and corrosive fumes. Exothermic reaction with diisopropyl ether produces much gas. The reaction may be dangerous if confined. To fight fire, use CO2, dry chemical; do not use water. When heated to decomposition it emits highly toxic fumes of Cl−.
Hazard Codes: F,C
Risk Statements: 11-14-34
R11:Highly flammable.
R14 :Reacts violently with water.
R34:Causes burns.
Safety Statements: 9-16-26-45
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1815 3/PG 2
WGK Germany: 1
HazardClass: 3
PackingGroup: II
RTECS: UG6657000
5. Use of Propionyl chloride
In the pharmaceutical industry, Propionyl chloride is used for the production of anti-epileptic drugs , anti-adrenaline drug,etc.