ChemicalBook CAS DataBase List 78-95-5

78-95-5

Name	Chloroacetone
CAS	78-95-5
EINECS(EC#)	201-161-1
Molecular Formula	C3H5ClO
MDL Number	MFCD00000936
Molecular Weight	92.52
MOL File	78-95-5.mol

Chemical Properties

Definition	A lachrymator.
Appearance	colourless to dark yellow liquid
Melting point	-44.5 °C
Boiling point	120 °C (lit.)
density	1.162 g/mL at 25 °C(lit.)
vapor pressure	42 hPa (20 °C)
refractive index	n20/D 1.432(lit.)
Fp	82 °F
storage temp.	2-8°C
solubility	Chloroform, Methanol (Slightly)
form	Liquid
color	Clear yellow to yellow-brown
Specific Gravity	1.162
PH	4.3 (124g/l, H2O, 20°C)
Stability:	Stable. Incompatible with strong oxidizing agents, strong bases. May discolour on exposure to light. STENCH.
explosive limit	3.4%(V)
Water Solubility	124 g/L (20 ºC)
Sensitive	Lachrymatory
Merck	14,2114
BRN	605369
Henry's Law Constant	5.8×10^-1 mol/(m³Pa) at 25℃, Burkholder et al. (2019)
Dielectric constant	29.8（20℃）
InChI	1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
InChIKey	BULLHNJGPPOUOX-UHFFFAOYSA-N
SMILES	CC(=O)CCl
LogP	2.7 at 20℃
Uses	Couplers for color photography, enzyme inactivator, insecticides, perfumes, intermediate, organic synthesis, tear gas, polymerization of vinyl monomers. less more
CAS DataBase Reference	78-95-5(CAS DataBase Reference)
NIST Chemistry Reference	2-Propanone, 1-chloro-(78-95-5)
EPA Substance Registry System	78-95-5(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS06,GHS09
Signal word	Danger
Hazard statements	H226-H301-H310+H330-H315-H319-H335-H410
Precautionary statements	P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes	T+,N,T,F,Xi
Risk Statements	R10:Flammable. R24/25:Toxic in contact with skin and if swallowed . R26:Very Toxic by inhalation. R36/37/38:Irritating to eyes, respiratory system and skin . R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . 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 label where possible) . S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S38:In case of insufficient ventilation, wear suitable respiratory equipment . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . less more
RIDADR	UN 1695 6.1/PG 1
WGK Germany	3
RTECS	UC0700000
F	8-19
Autoignition Temperature	610 °C
Hazard Note	Irritant/Flammable/Toxic/Lachrymatory
TSCA	Yes
REACH Registrations	Active
HazardClass	6.1
PackingGroup	I
HS Code	29147000
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B STOT SE 3
Safety Profile	Poison by inhalation, ingestion, and skin contact. Mutation data reported. A lachrymator poison gas. See also CHLORINATED HYDROCARBONS, ALIPHATIC; ACETONE. Flammable when exposed to heat or flame, or oxidizers. Old material can explode. When heated to decomposition it emits highly toxic fumes. less more
Hazardous Substances Data	78-95-5(Hazardous Substances Data)
Toxicity	LD50 (14 day) in mice, rats (mg/kg): 127, 100 orally; LC50 (1 hr) in rats (ppm): 262 by inhalation (Sargent) less more

Raw materials And Preparation Products

Hazard Information

General Description

A yellow-colored liquid with an irritating pungent odor. Light sensitive, but stabilized with the addition of small amounts of water and/or calcium carbonate. Slightly soluble in water and denser than water. Vapors much heavier than air. Irritates skin and eyes. Very toxic by ingestion or inhalation. Used to make other chemicals. A lachrymator.

Reactivity Profile

CHLOROACETONE turns dark and resinifies on prolonged exposure to light [Merck]. This occurred in a bottle during storage for two years on a shelf in diffused light. A few days after the bottle was moved, CHLOROACETONE, STABILIZED(78-95-5) exploded [Ind. Eng. News 9: 184(1931)]. Is stabilized by addition of 0.1% water or 0.1% CaCO3.

Air & Water Reactions

Highly flammable. Water soluble.

Hazard

Strong irritant to tissue, eyes, and mucous membranes; toxic by ingestion and skin contact. Upper respiratory tract irritant.

Health Hazard

TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn 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

HIGHLY FLAMMABLE: Will be easily 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 and poison 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

colourless to dark yellow liquid

Synthesis Reference(s)

Journal of the American Chemical Society, 77, p. 5274, 1955 DOI: 10.1021/ja01625a016
Synthesis, p. 188, 1987 DOI: 10.1055/s-1987-27886

Flammability and Explosibility

Flammable

Purification Methods

Dissolve it in water and shake it repeatedly with small amounts of diethyl ether which extracts, preferentially, 1,1-dichloroacetone present as an impurity. The chloroacetone is then extracted from the aqueous phase using a large amount of diethyl ether, and distilled at slightly reduced pressure. It is dried with CaCl2 and stored at Dry-ice temperature. Alternatively, it was stood over CaSO4, distilled and stored over CaSO4. It is steam volatile. The 2,4-dinitrophenylhydrazone forms yellow needles from EtOH with m 120o or 124o. [Beilstein 1 IV 3215.] LACHRYMATOR with toxic vapour.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Send Inquriy