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Substance Name: Ethyl chloroacetate
RN: 105-39-5
UNII: 6H07TEH4TF
InChIKey: VEUUMBGHMNQHGO-UHFFFAOYSA-N
Classification Codes
- Skin / Eye Irritant
- Tumor Data
Molecular Formula
- C4-H7-Cl-O2
Molecular Weight
- 122.5503
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Ethyl chloroacetate
- Ethyl monochloroacetate
Synonyms
- 4-02-00-00481 (Beilstein Handbook Reference)
- Acetic acid, chloro-, ethyl ester
- AI3-19743
- BRN 0506455
- CCRIS 7747
- Chloroacetic acid, ethyl ester
- EC 203-294-0
- EINECS 203-294-0
- Ethyl alpha-chloroacetate
- Ethyl chloracetate
- Ethyl chloroacetate
- Ethyl chloroethanoate
- Ethyl monochloracetate
- Ethyl monochloroacetate
- Ethylester kyseliny chloroctove
- Ethylester kyseliny chloroctove [Czech]
- HSDB 408
- NSC 8833
- UNII-6H07TEH4TF
Systematic Names
- Acetic acid, 2-chloro-, ethyl ester
- Acetic acid, chloro-, ethyl ester
- Chloroacetic acid ethyl ester
- Ethyl chloroacetate
Superlist Names
- Acetic acid, chloro-, ethyl ester
- Ethyl chloroacetate
- Ethyl chloroacetate [UN1181] [Poison]
- UN1181
Registry Numbers
CAS Registry Number
- 105-39-5
FDA UNII
- 6H07TEH4TF
System Generated Number
- 0000105395
Structure Descriptors
InChI
InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3InChIKey
VEUUMBGHMNQHGO-UHFFFAOYSA-NSmiles
CCOC(=O)Toxicity
| 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) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) | 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) | BEHAVIORAL: TREMOR SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE 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: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993. |
| rat | LD50 | skin | 161mg/kg (161mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 71, 1993. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -2.10E+01 | deg C | EXP | |
| Boiling Point | 144.3 | deg C | EXP | |
| log P (octanol-water) | 0.94 | (none) | EXP | |
| Water Solubility | 1.94E+04 | mg/L | 30 | EXP |
| Vapor Pressure | 4.87 | mm Hg | 25 | EXP |
| Henry's Law Constant | 4.06E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.21E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.