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105-39-5

Basic Information
CAS No.: 105-39-5
Name: Ethyl chloracetate
Molecular Structure:
Molecular Structure of 105-39-5 (Ethyl chloracetate)
Formula: C4H7ClO2
Molecular Weight: 122.5502
Synonyms: Aceticacid, chloro-, ethyl ester (6CI,8CI,9CI);(Ethoxycarbonyl)methyl chloride;2-Chloroacetic acid ethyl ester;Chloroacetic acid ethyl ester;Ethyl 2-chloroacetate;Ethyl 2-monochloroacetate;Ethyl monochloracetate;Ethyl a-chloroacetate;NSC 8833;
EINECS: 203-294-0
Density: 1.119 g/cm3
Melting Point: -27 ºC
Boiling Point: 147.6 ºC at 760 mmHg
Flash Point: 65.6 ºC
Solubility: 20 g/L (20 ºC)
Appearance: colourless liquid
Hazard Symbols: ToxicT; DangerousN
Risk Codes: 23/24/25-50-10
Safety: 45-61-7/9-16
Transport Information: UN 1181 6.1/PG 2
PSA: 26.30000
LogP: 0.78830
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    105-39-5

    Ethyl chloracetate

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    Ethyl chloroacetate is an important intermediate in the synthesis of pharmaceuticals, pesticides and perfumes, and it also be used as industrial solvents. 1. Colorless liquid. 2. The mature Technical support an professional logistic support 3

    QINGDAO ON-BILLION INDUSTRIAL CO.,LTD was established in 2004 with registered capital RMB 26 million. (Former Qingdao on-billion imp&exp co.,ltd was founded in 1993 ) Awarded as E

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  • Ethyl chloracetate

  • Casno:

    105-39-5

    Ethyl chloracetate

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    Chroma(Pt-Co):10Max; Moisture:0.2%Max; Acidity:0.2%Max; Ethyl Dichloroacetate:0.2%Max;Appearance:colorless Liquid

    Suzhou Sinosun Imp.&Exp. Corporation engages in manufacturing and trading of chemicals. and we are specialized in Pharmaceutical raw Materials; Intermediates; Industrial Chemic

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    105-39-5

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    1. Main product, green and efficient synthesis route, with 100MT/Month capacity. More than 10 years experience in manufacturing phosphonoes. 2. Public company(SC 871176), certificated with ISO 9001, ISO14001, OHSAS18001, Safety Production License

    Established in 2010 Jiangxi Sunway Chemical(SC 871176) is a reputed t-Bu bromo/chloro acetates, Phosphonoacetates manufacturer in China. We are an ISO 9001, ISO 14001, OHSA S18001

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  • Ethyl chloroacetate

  • Casno:

    105-39-5

    Ethyl chloroacetate

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    Ethyl chloroacetate Application:810753

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  6.1; Label: Poison

Specification

The CAS registry number of Ethyl chloracetate is 105-39-5. Its EINECS registry number is 203-294-0. The IUPAC name is ethyl 2-chloroacetate. In addition, the molecular formula is C4H7ClO2. What's more, it is a kind of colourless liquid and can be used as a pharmaceutical intermediate. It is incompatible with acids, bases, oxidizing agents and reducing agents.

Physical properties about this chemical are: (1)ACD/LogP: 0.94; (2)ACD/LogD (pH 5.5): 0.94; (3)ACD/LogD (pH 7.4): 0.94; (4)ACD/BCF (pH 5.5): 3.05; (5)ACD/BCF (pH 7.4): 3.05; (6)ACD/KOC (pH 5.5): 77.3; (7)ACD/KOC (pH 7.4): 77.3; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.411; (12)Molar Refractivity: 27.2 cm3; (13)Molar Volume: 109.4 cm3; (14)Polarizability: 10.78 ×10-24cm3; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 1.119 g/cm3; (17)Flash Point: 65.6 °C; (18)Enthalpy of Vaporization: 40.43 kJ/mol; (19)Boiling Point: 147.6 °C at 760 mmHg; (20)Vapour Pressure: 4.39 mmHg at 25°C.

Preparation of Ethyl chloracetate: it can be prepared by chloroacetic acid and ethanol. This reaction will need reagents P2O5, CuSO4 and Na2SO4. The reaction time is 2 hours by heating. The yield is about 45%.

Ethyl chloracetate can be prepared by chloroacetic acid and ethanol

Uses of Ethyl chloracetate: it can react with 1-(N-phenylamino)-3-butoxypropane-2-thiol to get (1-butoxymethyl-2-phenylamino-ethylsulfanyl)-acetic acid ethyl ester. This reaction will need reagent NaOH and solvent H2O. The reaction time is 1 hours at reaction temperature of 30-40 °C. The yield is about 32%.

Ethyl chloracetate can react with 1-(N-phenylamino)-3-butoxypropane-2-thiol to get (1-butoxymethyl-2-phenylamino-ethylsulfanyl)-acetic acid ethyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. And it is toxic by inhalation, in contact with skin and if swallowed. Moreover, it is very toxic to aquatic organisms. During using it, you should keep away from sources of ignition. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, you should avoid release to the environment and you can refer to special instructions/safety data sheets. Besides, keep container tightly closed and in a well-ventilated place after using it.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)OCC
(2)InChI: InChI=1/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
(3)InChIKey: VEUUMBGHMNQHGO-UHFFFAOYAS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(5), Pg. 59, 1986.
mouse LD50 subcutaneous 250mg/kg (250mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.
rabbit LD50 skin 230mg/kg (230mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC50 inhalation 3330uL/m3/4H (3.33mL/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993.
rat LD50 oral 180mg/kg (180mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993.
rat LD50 skin 161mg/kg (161mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993.