CAS 79-43-6|Dichloroacetic acid
| Common Name | Dichloroacetic acid | ||
|---|---|---|---|
| CAS Number | 79-43-6 | Molecular Weight | 128.94200 |
| Density | 1.563 g/mL at 25 °C(lit.) | Boiling Point | 194 °C(lit.) |
| Molecular Formula | C2H2Cl2O2 | Melting Point | 9-11 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | >230 °F |
| Symbol | GHS05, GHS06, GHS08, GHS09 | Signal Word | Danger |
Names
| Name | dichloroacetic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.563 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 194 °C(lit.) |
| Melting Point | 9-11 °C(lit.) |
| Molecular Formula | C2H2Cl2O2 |
| Molecular Weight | 128.94200 |
| Flash Point | >230 °F |
| Exact Mass | 127.94300 |
| PSA | 37.30000 |
| LogP | 0.87470 |
| Vapour density | 4.5 (vs air) |
| Vapour Pressure | 0.19 mm Hg ( 20 °C) |
| Index of Refraction | n20/D 1.466(lit.) |
| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-N |
| SMILES | O=C(O)C(Cl)Cl |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic. |
| Water Solubility | soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2820 mg/kg
- 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 :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 510 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 :
- 3195 mg/kg/90D-C
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7100 mg/kg/10W-C
- TOXIC EFFECTS :
- Liver - other changes Liver - changes in liver weight Biochemical - Effect on specific coenzyme - CoA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 gm/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 427 gm/kg/61W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 9 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 24 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - sex ratio
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 4 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 14 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA - TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 645 mg/kg
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 20,277,1992 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,271,1995 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,271,1995 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,271,1995 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 4 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84531 No. of Facilities: 44 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 164 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84531 No. of Facilities: 39 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1592 (estimated) No. of Female Employees: 579 (estimated)
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 645 mg/kg
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 20,277,1992 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,271,1995 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,271,1995 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 63,271,1995 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 4 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84531 No. of Facilities: 44 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 164 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84531 No. of Facilities: 39 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1592 (estimated) No. of Female Employees: 579 (estimated)
Safety Information
| Symbol | GHS05, GHS06, GHS08, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H311-H314-H351-H400 |
| Precautionary Statements | P273-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R35;R50 |
| Safety Phrases | S26-S45-S61-S36/37-S36-S16 |
| RIDADR | UN 1764 8/PG 2 |
| WGK Germany | 2 |
| RTECS | AG6125000 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 2915400090 |
Customs
| HS Code | 2915400090 |
|---|---|
| Summary | 2915400090 mono-, di- or trichloroacetic acids, their salts and esters |
Articles53
More Articles| Stable chlorine isotope analysis of chlorinated acetic acids using gas chromatography/quadrupole mass spectrometry. Rapid Commun. Mass Spectrom. 29 , 2341-8, (2015) The environmental occurrence of chlorinated acetic acids (CAAs) has been extensively studied, but the sources and transport are still not yet fully understood. A promising approach for source apportio... | |
| Adsorption equilibrium, kinetics and thermodynamics of dichloroacetic acid from aqueous solution using mesoporous carbon. Environ. Technol. 35(13-16) , 1962-70, (2014) The presence of disinfection by-products, such as trihalomethanes and haloacetic acids in water, is believed to be harmful to human health. In this work, mesoporous carbon was synthesized with the eva... | |
| Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). J. Med. Chem. 48 , 3269-79, (2005) Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm... |
Synonyms
| Dichloroacetic acid |
| dichloroacetic |
| dichloraceticacid |
| dca(acid) |
| dichloro |
| DKhUK |
| Urner's liquid |
| dichloro-acetic acid |
| EINECS 201-207-0 |
| Dichloressigsure |
| bichloraceticacid |
| MFCD00004223 |
