Chloroacetone

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Names

[ CAS No. ]:
78-95-5

[ Name ]:
Chloroacetone

[Synonym ]:
Tonite
MFCD00000936
Chloro acetone
1-Chloroacetone
Chloropropanone
2-Propanone,1-chloro
Chloroacetone
Acetonyl chloride
Chloracetone
2-Propanone, 1-chloro-
1-chloro-propan-2-one
α-Chloroacetone
Monochloracetone
EINECS 201-161-1
1-chloropropanone
1-chloropropan-2-one

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
120.0±8.0 °C at 760 mmHg

[ Melting Point ]:
-44.5 °C

[ Molecular Formula ]:
C₃H₅ClO

[ Molecular Weight ]:
92.524

[ Flash Point ]:
27.8±0.0 °C

[ Exact Mass ]:
92.002892

[ PSA ]:
17.07000

[ LogP ]:
0.43

[ Vapour Pressure ]:
15.5±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.397

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong bases. May discolour on exposure to light. STENCH.

[ Water Solubility ]:
124 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UC0700000

CHEMICAL NAME :: 2-Propanone, 1-chloro-

CAS REGISTRY NUMBER :: 78-95-5

BEILSTEIN REFERENCE NO. :: 0605369

LAST UPDATED :: 199712

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C3-H5-Cl-O

MOLECULAR WEIGHT :: 92.53

WISWESSER LINE NOTATION :: G1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 605 ppm/10M

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Skin and Appendages - hair

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 262 ppm/1H

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 80 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 127 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 92 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 141 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 100 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 650 mg/kg/17D-I

TOXIC EFFECTS :: Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - gastritis Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TEST SYSTEM :: Insect - Drosophila melanogaster

DOSE/DURATION :: 100 pph/6M

REFERENCE :: PREBA3 Proceedings of the Royal Society of Edinburgh, Section B. (Edinburgh, Scotland, UK) V.61-74, 1943-74. Volume(issue)/page/year: 62,284,1946/1947 *** REVIEWS *** ACGIH TLV-CL 3.8 mg/m3 (1 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5194 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H301-H310 + H330-H315-H319-H335-H410

[ Precautionary Statements ]:
P260-P273-P280-P284-P301 + P310-P302 + P350

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T+:Verytoxic;N:Dangerous for the environment;

[ Risk Phrases ]:
R10;R24/25;R26;R36/37/38;R50/53

[ Safety Phrases ]:
S16-S23-S36/37/39-S45-S60-S61-S38-S28A-S26

[ RIDADR ]:
UN 1695 6.1/PG 1

[ WGK Germany ]:
3

[ RTECS ]:
UC0700000

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Acetone
2-nitroprop-1-ene
1-Chloro-2-propanol
Methyl 2-chloroacetoacetate
{Pd2(μ-H)(COCH3)2(μ-dppm)2}BPh4
1-Propene, 1-chloro-
DIAZOACETONE
N,N-Dimethylformamide
carbon monoxide
Epichlorohydrin

DownStream

6-bromo-3-(2-oxopropyl)-1,3-benzothiazol-2-one
4-(2-oxopropyl)-1,4-benzoxazin-3-one
1-hexadecylsulfonylpropan-2-one
6-Bromo-2-methylimidazo[1,2-a]pyrimidine
Fluoroacetone
1-(2,6-dimethylphenoxy)propan-2-one
1-(3,6-DIBROMO-CARBAZOL-9-YL)-3-PYRROLIDIN-1-YL-PROPAN-2-OL
Tetrabutylammonium iodide
Phosphinecarbonitrile, 1-(2-oxopropyl)-1-phenyl
UNII:ZL0FUS96WW

Articles

A convenient ultrasound-promoted synthesis of some new thiazole derivatives bearing a coumarin nucleus and their cytotoxic activity.

Molecules 17(8) , 9335-47, (2012)

Successful implementation of ultrasound irradiation for the rapid synthesis of a novel series of 3-[1-(4-substituted-5-(aryldiazenyl)thiazol-2-yl)hydrazono)ethyl]-2H-chromen-2-ones 5a-h, via reactions...

[Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. VI. 4-(o-tolyl)-thiosemicarbazide of o-nitro - and p-nitrobenzoic acid].

Ann. Univ. Mariae Curie. Sklodowska. Med. 51 , 195-202, (1996)

The reactions of 4-(o-tolyl)-thiosemicarbazide of o-nitro- and p-nitrobenzoic acid (Ik, l) with chloroacetone and omega-bromoacetophenone were investigated in: methanolic medium (method D); methanolic...

[Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. V. 4-(o-tolyl)-thiosemicarbazide of of o-chloro- and p-chlorobenzoic acid].

Ann. Univ. Mariae Curie. Sklodowska. Med. 51 , 185-93, (1996)

The reactions of 4-(o-tolyl)-thiosemicarbazide of o-chloro- and p-chlorobenzoic acid (Ii, j) with chloroacetone and omega-bromoacetophenone were investigated in: methanolic medium (method D); methanol...

chloroacetone
Chloroacetone oxime
1-Hydroxy-3-chloroacetone
1-Hydroxy-3-chloroacetone
1-Acetoxy-3-chloroacetone
1,1-Dibromo-3-chloroacetone
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
2-[(4-fluorophenyl)sulfanyl]-N-{2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl}acetamide
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
5-Bromo-2,4-difluoro-N-isopropylbenzamide
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
5-(Aminomethyl)piperidin-2-one dihydrochloride
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde