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79-03-8

Basic Information
CAS No.: 79-03-8
Name: Propionyl chloride
Article Data: 140
Cas Database
Molecular Structure:
Molecular Structure of 79-03-8 (Propionyl chloride)
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: FlammableF, CorrosiveC
Risk Codes: 11-14-34
Safety: 9-16-26-45
Transport Information: UN 1815 3/PG 2
PSA: 17.07000
LogP: 1.16180
Synthetic route
802294-64-0

propionic acid

79-03-8

propionyl chloride

Conditions
ConditionsYield
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%
802294-64-0

propionic acid

A

79-03-8

propionyl chloride

B

123-62-6

propionic acid anhydride

Conditions
ConditionsYield
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%
16844-98-7

trimethylsilyl propionate

4353-77-9

chlorosulfonate de trimethylsilyle

A

79-03-8

propionyl chloride

B

86521-60-0

trimethylsilyl 1-<(trimethylsiloxy)carbonyl>ethanesulfonate

Conditions
ConditionsYield
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%
98-88-4

benzoyl chloride

802294-64-0

propionic acid

79-03-8

propionyl chloride

51430-68-3

3,4-dichloro-(E)-3-hexene

A

79-03-8

propionyl chloride

B

100220-04-0

1,1-Dichlorpropylhydroperoxid

Conditions
ConditionsYield
With hydrogenchloride; ozone; formic acid ethyl ester at -10 - 0℃;
802294-64-0

propionic acid

7719-12-2, 52843-90-0

phosphorus trichloride

79-03-8

propionyl chloride

Conditions
ConditionsYield
at 20℃;
56-23-5

tetrachloromethane

7782-50-5

chlorine

123-62-6

propionic acid anhydride

A

79-03-8

propionyl chloride

B

propionyl hypochlorite

propionyl hypochlorite

Conditions
ConditionsYield
at -15 - -5℃; unter Lichtausschluss;
2570-00-5

3,3-dichloro-1,2-diphenylcyclopropene

802294-64-0

propionic acid

A

79-03-8

propionyl chloride

B

886-38-4

diphenylcyclopropenone

Conditions
ConditionsYield
In chloroform-d1 for 0.25h; Inert atmosphere;
96-22-0

pentan-3-one

A

17042-21-6

2-chloro-3-pentanone

B

32830-97-0

1-chloro-3-pentanone

C

600-14-6

2,3-Pentanedione

D

79-03-8

propionyl chloride

E

75-07-0

acetaldehyde

Conditions
ConditionsYield
With oxygen; chlorine at 23.84℃; under 830 - 980 Torr; UV-irradiation;
96-22-0

pentan-3-one

A

17042-21-6

2-chloro-3-pentanone

B

32830-97-0

1-chloro-3-pentanone

C

1629-58-9

4-penten-3-one

D

79-03-8

propionyl chloride

E

75-07-0

acetaldehyde

Conditions
ConditionsYield
With oxygen; chlorine at 236.84℃; under 700 - 950 Torr; UV-irradiation;
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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: FlammableF,CorrosiveC
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.