2,3,6-Trichlorobenzoic acid

Suppliers

Names

[ CAS No. ]:
50-31-7

[ Name ]:
2,3,6-Trichlorobenzoic acid

[Synonym ]:
Trysben
2,3,6-Trichlor-benzoesaeure
2,3,6-TCBA
TCBA
2,3,4-TRI-O-ACETYL-B-D-RIBOPYRANOSYL AZIDE
Benzac 1,281
Fen-all
MFCD00053310
2,3,6-TRICHLORO-BENZOIC ACID
Benzoic acid,2,3,6-trichloro
EINECS 200-026-4
Tribac
2,3,6-TRICHLOROBENZOIC ACID
Benzabar

Chemical & Physical Properties

[ Density]:
1.635g/cm3

[ Boiling Point ]:
324.5ºC at 760mmHg

[ Melting Point ]:
126-127 °C(lit.)

[ Molecular Formula ]:
C7H3Cl3O2

[ Molecular Weight ]:
225.45700

[ Flash Point ]:
150.1ºC

[ Exact Mass ]:
223.92000

[ PSA ]:
37.30000

[ LogP ]:
3.34500

[ Index of Refraction ]:
1.611

[ Storage condition ]:
-20°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH7700000
CHEMICAL NAME :
Benzoic acid, 2,3,6-trichloro-
CAS REGISTRY NUMBER :
50-31-7
BEILSTEIN REFERENCE NO. :
1873934
LAST UPDATED :
199710
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C7-H3-Cl3-O2
MOLECULAR WEIGHT :
225.45
WISWESSER LINE NOTATION :
QVR BG CG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 35(7-9),14,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,782,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GUCHAZ Guide to the Chemicals Used in Crop Protection. (Information Canada, 171 Slater St., Ottawa, Ont., Canada) Volume(issue)/page/year: 6,515,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
615 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 35(10),14,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 13,1538,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,782,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1218 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 35(7-9),14,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,782,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,145,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
910 mg/kg/26W-I
TOXIC EFFECTS :
Endocrine - hypoglycemia Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - catalases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 35(10),4,1970 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

Safety Information

[ Hazard Codes ]:
Xn;N

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S61

[ RIDADR ]:
UN 2811 6.1/PG 1

[ RTECS ]:
DH7700000

[ HS Code ]:
2916399090

Synthetic Route

Precursor & DownStream

Precursor

  • Carbon dioxide
  • 1,2,4-Trichlorobenzene
  • 1,2,4-Trichloro-3-methylbenzene
  • 2,3,6-Trichlorobenzaldehyde
  • 2-Chlorotoluene
  • 3,4-Dichloro-2-methylaniline
  • 1,2,4-trichloro-3-dichloromethyl-benzene
  • DICHLOROTOLUENE
  • 2-methyl-3,4-dichloro-1-nitrobenzene
  • Toluene

DownStream

  • 2,3,6-trichlorobenzoyl chloride

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%


Related Compounds

  • 2,3,6-trichlorobenzoic acid chloride
  • 2,3,6-Trichlorobenzoic acid methyl ester
  • 2,3,6-TRICHLOROBENZOIC ACID DIMETHYLAMINE SALT
  • 2,3,6-TRICHLOROBENZOIC ACID DIMETHYLAMINE SALT
  • 3-(2,3,6-Trifluorophenyl)acrylic acid
  • 2,3,5-Trichlorobenzoic acid