ChemicalBook CAS DataBase List 79-03-8

79-03-8

Name	Propionyl chloride
CAS	79-03-8
EINECS(EC#)	201-170-0
Molecular Formula	C3H5ClO
MDL Number	MFCD00000745
Molecular Weight	92.52
MOL File	79-03-8.mol

Chemical Properties

Appearance	clear liquid
Melting point	-94 °C
Boiling point	77-79 °C (lit.)
density	1.059 g/mL at 20 °C
vapor density	3.2 (vs air)
vapor pressure	106 hPa (20 °C)
refractive index	n20/D 1.404(lit.)
Fp	53 °F
storage temp.	Flammables area
form	Liquid
color	Clear
PH Range	<7.0
explosive limit	3.6-11.9%(V)
Water Solubility	REACTS
FreezingPoint	-94℃
Sensitive	Moisture Sensitive
Merck	14,7828
BRN	385632
Exposure limits	ACGIH: TWA 0.1 ppm OSHA: TWA 0.1 ppm(0.4 mg/m3) NIOSH: IDLH 2 ppm; TWA 0.1 ppm(0.4 mg/m3); Ceiling 0.2 ppm(0.8 mg/m3)
InChI	1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3
InChIKey	RZWZRACFZGVKFM-UHFFFAOYSA-N
SMILES	CCC(Cl)=O
Uses	Chemical intermediate. less more
CAS DataBase Reference	79-03-8(CAS DataBase Reference)
NIST Chemistry Reference	Propanoyl chloride(79-03-8)
EPA Substance Registry System	Propanoyl chloride (79-03-8)

Safety Data

Symbol(GHS)	GHS02,GHS05,GHS06
Signal word	Danger
Hazard statements	H225-H302-H314-H331
Precautionary statements	P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes	F,C
Risk Statements	R11:Highly Flammable. R14:Reacts violently with water. R34:Causes burns. less more
Safety Statements	S9:Keep container in a well-ventilated place . S16:Keep away from sources of ignition-No smoking . 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 label where possible) . less more
RIDADR	UN 1815 3/PG 2
WGK Germany	1
RTECS	UG6657000
Autoignition Temperature	270 °C
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	II
HS Code	29051900
HS Code	29399990
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Inhalation Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 2 Skin Corr. 1B
Safety Profile	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 confmed. To fight fire, use CO2, dry chemical; do not use water. When heated to decomposition it emits lughly toxic fumes of Cl-. See also HYDROCHLORIC ACID. less more
Hazardous Substances Data	79-03-8(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 823 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

A colorless liquid with a pungent odor. Flash point of 50°F. Corrosive and very irritating to skin and eyes. Used to make other chemicals.

Reactivity Profile

Acid halides, such as PROPIONYL CHLORIDE(79-03-8), are water reactive; some are violently reactive. They are incompatible with strong oxidizing agents, alcohols, amines, and alkali. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

Air & Water Reactions

Highly flammable. Vigorously reacts with water to form propionic acid and hydrochloric acid [Merck 11th ed. 1989].

Hazard

Strong irritant to skin.

Health Hazard

May cause toxic effects if inhaled or ingested/swallowed. Contact with substance may cause severe burns to skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

Flammable/combustible material. May be ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Chemical Properties

clear liquid

Application

Propionyl chloride is used for the introduction of the propionyl group and for the synthesis of propionate esters because of its high reactivity. It is an chemical intermediate in the preparation of various propionic acid derivatives, It can also be used:
To convert anisole to 4-methoxypropiophenone and 2-methoxynaphthalene to 1-propio-2-methoxynaphthalene in the presence of Indium(III) chloride (InCl3) impregnated mesoporous Si-MCM-41 catalyst.
For chlorination in the presence of sulfuryl chloride and peroxides to form α-chloropropionyl chloride and β-chloropropionyl chloride.
In reaction with (hydroxypropyl)cellulose to form the propanoate ester, [(propionyloxy)propyl]cellulose.

Preparation

Propionyl chloride is synthesized by reacting propionic acid with phosphorus trichloride at 40-50°C for 1h, cooling, standing, separating and distilling to obtain the product.
CH3CH2COOH+PCl3→CH3CH2COCl+HOPCl2
Propionyl chloride is industrially produced by chlorination of propionic acid with phosgene:
CH3CH2CO2H + COCl2 → CH3CH2COCl + HCl + CO2

79-03-8

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

General Description

Reactivity Profile

Air & Water Reactions

Hazard

Health Hazard

Fire Hazard

Chemical Properties

Application

Preparation

Flammability and Explosibility

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information