Dichloroacetic acid
Names
[ CAS No. ]:
79-43-6
[ Name ]:
Dichloroacetic acid
[Synonym ]:
Dichloroacetic acid
dichloroacetic
dichloraceticacid
dca(acid)
dichloro
DKhUK
Urner's liquid
dichloro-acetic acid
EINECS 201-207-0
Dichloressigsure
bichloraceticacid
MFCD00004223
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.)
[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Reacts with water. Protect from moisture. Hygroscopic.
[ Water Solubility ]:
soluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AG6125000
- CHEMICAL NAME :
- Acetic acid, dichloro-
- CAS REGISTRY NUMBER :
- 79-43-6
- BEILSTEIN REFERENCE NO. :
- 1098596
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 24
- MOLECULAR FORMULA :
- C2-H2-Cl2-O2
- MOLECULAR WEIGHT :
- 128.94
- WISWESSER LINE NOTATION :
- QVYGG
HEALTH HAZARD DATA
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)
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2915400090
[ Summary ]:
2915400090 mono-, di- or trichloroacetic acids, their salts and esters
Articles
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...