Dichloroacetic acid

Modify Date: 2025-08-20 12:12:50

Dichloroacetic acid Structure
Dichloroacetic acid structure
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 Chinese USA Flash Point >230 °F
Symbol GHS05 GHS06 GHS08 GHS09
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.)
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

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
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

 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
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