ethyl chloroacetate

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Names

[ CAS No. ]:
105-39-5

[ Name ]:
ethyl chloroacetate

[Synonym ]:
ethyl 2-chloroacetate
Chloroacetic Acid Ethyl Ester
EINECS 203-294-0
MFCD00000932

Chemical & Physical Properties

[ Density]:
1.15

[ Boiling Point ]:
143 °C(lit.)

[ Melting Point ]:
-26 °C

[ Molecular Formula ]:
C4H7ClO2

[ Molecular Weight ]:
122.55000

[ Flash Point ]:
150 °F

[ Exact Mass ]:
122.01300

[ PSA ]:
26.30000

[ LogP ]:
0.78830

[ Vapour Pressure ]:
4.39mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.421(lit.)

[ Stability ]:
Stable. Incompatible with acids, bases, oxidizing agents, reducing agents. Flammable.

[ Water Solubility ]:
20 g/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF9110000
CHEMICAL NAME :
Acetic acid, chloro-, ethyl ester
CAS REGISTRY NUMBER :
105-39-5
BEILSTEIN REFERENCE NO. :
0506455
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C4-H7-Cl-O2
MOLECULAR WEIGHT :
122.56
WISWESSER LINE NOTATION :
G1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,587,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
235 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 30(5),59,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 30(5),59,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 42,417,1977 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2940 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 39,391,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83397 No. of Facilities: 41 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 290 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83397 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 919 (estimated) No. of Female Employees: 306 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS05, GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H301-H311-H318-H331-H400

[ Precautionary Statements ]:
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311

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

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R10;R23/24/25;R50

[ Safety Phrases ]:
S45-S61-S7/9-S16

[ RIDADR ]:
UN 1181 6.1/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
AF9110000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2905199090

Synthetic Route

Precursor & DownStream

Precursor

  • Ethanol
  • Chloroacetic acid
  • EDA
  • (Chloromethylene)dimethyliminium chloride
  • Glycine ethyl ester hydrochloride
  • Chloroacetyl chloride
  • Ethyl acetoacetate
  • Benzyl cyanide
  • monocopper(II) mono(2-chloroacetate)
  • Ethyl dichloroacetate

DownStream

  • ethyl 2-(2-benzoyl-4-nitrophenoxy)acetate
  • Tetraethyl(ethoxycarbonylethylidene)bisphosphonate
  • 3-phenyl-2H-1,2,4-oxadiazin-5-one
  • ethyl 2-(2-benzoyl-4-chloroanilino)acetate
  • ethyl 2-(2-benzoyl-4-nitroanilino)acetate
  • 1,3,5-TRIAZINE-2,4-DIAMINE, 6-(CHLOROMETHYL)-
  • Acetic acid,2-[(4-chlorophenyl)sulfonyl]-
  • ethyl 7-methoxybenzofuran-2-carboxylate
  • Ethyl 2-aminothiazole-5-carboxylate
  • Ethyl methoxyacetate

Customs

[ HS Code ]: 2905199090

[ Summary ]:
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Paracatalytic inactivation of L-2-haloacid dehalogenase from Pseudomonas sp. YL by hydroxylamine. Evidence for the formation of an ester intermediate.

J. Biol. Chem. 272(6) , 3363-8, (1997)

Asp10 of L-2-haloacid dehalogenase from Pseudomonas sp. YL was proposed to act as a nucleophile to attack the alpha-carbon of L-2-haloalkanoic acids to form an ester intermediate, which is hydrolyzed ...

The ethylester of monochloroacetic acid.

Contact Dermatitis 16(2) , 114-5, (1987)


More Articles


Related Compounds

  • 2-(4-Morpholinyl)ethyl chloroacetate
  • 2-(trimethylsilyl)ethyl chloroacetate
  • 2-(2-hydroxyethoxy)ethyl chloroacetate
  • 2-(3-oxomorpholino)ethyl chloroacetate
  • 1-methyl-2-(2-methylpropoxy)ethyl chloroacetate
  • 2-[(2-chloroethyl)(phenyl)amino]ethyl chloroacetate
  • 3-methyl-3-{3H-[1,2,3]triazolo[4,5-b]pyridin-6-yloxy}azetidine
  • 2-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-2,2-difluoroethan-1-ol
  • 4-chloro-1-ethyl-5-(2-nitroethenyl)-1H-imidazole
  • 1-Bromo-3-(1-isocyanatoethyl)-5-methylbenzene
  • 2-Fluoro-1-[2-(trifluoromethyl)phenyl]ethan-1-ol
  • tert-butyl N-[2-(2,6-dichlorophenyl)-1-oxopropan-2-yl]carbamate
  • Methyl 5-(2-amino-1,3-oxazol-5-yl)-2-hydroxybenzoate
  • 2-Hydroxy-3-(4-methylnaphthalen-1-yl)propanoic acid
  • 5-(Benzyloxy)-2-ethynylphenol
  • tert-butyl N-[(1,3-dihydroxycyclobutyl)methyl]carbamate