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Substance Name: Dichloroacetic acid
RN: 79-43-6
UNII: 9LSH52S3LQ
InChIKey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
Note
- A derivative of ACETIC ACID that contains two CHLORINE atoms attached to its methyl group.
Molecular Formula
- C2-H2-Cl2-O2
Molecular Weight
- 128.942
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Agricultural Chemical
- Fungicide, Bactericide, Wood Preservative
- Mutation Data
- Reproductive Effect
- Skin / Eye Irritant
- Tumor Data
Superlist Classification Codes
- Overall Carcinogenic Evaluation: Group 3
- TWA 0.5 ppm; skin; Confirmed animal carcinogen with unknown relevance to humans
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Names and Synonyms
Name of Substance
- Dichloroacetic acid
MeSH Heading
- Dichloroacetic acid
Synonyms
- 2,2-Dichloroacetic acid
- 4-02-00-00498 (Beilstein Handbook Reference)
- AI3-18370
- Bichloracetic acid
- BRN 1098596
- CCRIS 4016
- DCA (acid)
- Dichloracetic acid
- Dichlorethanoic acid
- Dichloroacetic acid
- Dichloroacetic acid (IUPAC)
- Dichloroethanoic acid
- EINECS 201-207-0
- HSDB 6894
- Kyselina dichloroctova
- Kyselina dichloroctova [Czech]
- NSC 2654
- UNII-9LSH52S3LQ
- Urner's liquid
Systematic Names
- Acetic acid, 2,2-dichloro-
- Acetic acid, dichloro-
- Dichloracetic acid
- Dichloroacetic acid
Superlist Names
- Dichloroacetic acid
- Dichloroacetic acid [UN1764] [Corrosive]
- UN1764
Registry Numbers
CAS Registry Number
- 79-43-6
FDA UNII
- 9LSH52S3LQ
Other Registry Number
- 42428-47-7
Related Registry Number
- 13425-80-4 (Parent)
System Generated Number
- 0000079436
Structure Descriptors
InChI
InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey
JXTHNDFMNIQAHM-UHFFFAOYSA-NSmiles
OC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 510uL/kg (0.51mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| rat | LD50 | oral | 2820mg/kg (2820mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 13.5 | deg C | EXP | |
| Boiling Point | 194 | deg C | EXP | |
| pKa Dissociation Constant | 1.26 | (none) | EXP | |
| log P (octanol-water) | 0.92 | (none) | EXP | |
| Water Solubility | 1.00E+06 | mg/L | 20 | EXP |
| Vapor Pressure | 0.179 | mm Hg | 25 | EXP |
| Henry's Law Constant | 3.52E-07 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.30E-13 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.