ChemicalBook--->CAS DataBase List--->78-95-5

78-95-5

78-95-5 Structure

78-95-5 Structure
IdentificationMore
[Name]

Chloroacetone
[CAS]

78-95-5
[Synonyms]

1-CHLORO-2-PROPANONE
1-CHLOROPROPAN-2-ONE
ACETONYL CHLORIDE
AKOS BBS-00004082
CHLORO-2-PROPANONE
CHLOROACETONE
MCA
MONOCHLOROACETONE
1-chloro-2-ketopropane
1-chloro-2-ketopropane[qr]
1-chloro-2-oxopropane
1-chloro-2-oxopropane[qr]
1-chloro-2-propanon
1-Chloroacetone
1-chloroacetone[qr]
1-Chloropropanone
2-Propanone,1-chloro-
2-propanone,1-chloro-[qr]
3-Chloro-2-propanone
Acetone, chloro-
[EINECS(EC#)]

201-161-1
[Molecular Formula]

C3H5ClO
[MDL Number]

MFCD00000936
[Molecular Weight]

92.52
[MOL File]

78-95-5.mol
Chemical PropertiesBack Directory
[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
[Dielectric constant]

29.8(20℃)
[LogP]

2.7 at 20℃
[Uses]

Couplers for color photography, enzyme inactivator, insecticides, perfumes, intermediate, organic synthesis, tear gas, polymerization of vinyl monomers.
[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 DataBack Directory
[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 .
[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 .
[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
[HazardClass ]

6.1
[PackingGroup ]

I
[HS Code ]

29147000
[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.
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetone-->Calcium carbonate-->Potassium chlorate-->Cyanuric acid
[Preparation Products]

Cyclopentane-1,1-diacetic acid-->5-(2-aminoethyl)-4-methylthiazol-2-ol-->2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one-->SPIRO[4.5]DECANE-7,9-DIONE-->5-(2-chloroethyl)-4-methylthiazol-2-ol-->1-Chloro-2-propanol-->1-CYCLOPENTYLIDENE-PROPAN-2-ONE-->2-ACETYL-7-HYDROXYBENZOFURAN-->Solvent Yellow 114-->2-ACETYL-5-NITROBENZO[B]FURAN-->2,4-Dimethylthiazole-->1-(5-BROMO-1-BENZOFURAN-2-YL)ETHANONE-->Pyraclofos-->GLYCIDYL METHYL ETHER-->4-Methylthiazole-->2-methylquinolin-3-ol-->Dimethyl acetylmethylphosphonate-->2-Amino-4-methylthiazole-->Diethyl (2-oxopropyl)phosphonate-->6-chloro-2,8-dimethyl-Imidazo[1,2-b]pyridazine
Hazard InformationBack Directory
[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)Back Directory
[msds information]

chloroacetone(78-95-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Chloroacetone(78-95-5)MS
Chloroacetone(78-95-5)1HNMR
Chloroacetone(78-95-5)13CNMR
Chloroacetone(78-95-5)IR1
Chloroacetone(78-95-5)IR2
Chloroacetone(78-95-5)Raman
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