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

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

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

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[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...


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Related Compounds

  • 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