3,4,5-Trichlorobenzoic acid

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Names

[ CAS No. ]:
51-39-8

[ Name ]:
3,4,5-Trichlorobenzoic acid

[Synonym ]:
3,4,5-trichlorobenzoicacid
3,4,5-Trichlor-benzoesaeure
BENZOIC ACID,3,4,5-TRICHLORO

Chemical & Physical Properties

[ Density]:
1.635g/cm3

[ Boiling Point ]:
345.4ºC at 760mmHg

[ Melting Point ]:
208-210ºC

[ Molecular Formula ]:
C7H3Cl3O2

[ Molecular Weight ]:
225.45700

[ Flash Point ]:
162.7ºC

[ Exact Mass ]:
223.92000

[ PSA ]:
37.30000

[ LogP ]:
3.34500

[ Index of Refraction ]:
1.611

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH8225000
CHEMICAL NAME :
Benzoic acid, 3,4,5-trichloro-
CAS REGISTRY NUMBER :
51-39-8
BEILSTEIN REFERENCE NO. :
3267440
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H3-Cl3-O2
MOLECULAR WEIGHT :
225.45
WISWESSER LINE NOTATION :
QVR CG DG EG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Sulfuric acid
  • 3,5-Dichloro-4-Aminobenzoic acid
  • Carbon dioxide
  • 5-Bromo-1,2,3-trichlorobenzene
  • Pentachlorobenzoic acid
  • 1,5-dibromo-2,3,4-trichlorobenzene
  • 1,2,3-trichlorobenzene
  • Benzoic acid,4-amino-3,5-dinitro-

DownStream

  • 1,2,3-trichloro-5-(chloromethyl)benzene

Related Compounds

  • 2-Amino-3,4,5-trichlorobenzoic acid
  • 3-carbamoyl-2,4,5-trichlorobenzoic acid
  • 3,4,5-tridodecoxybenzoic acid
  • 3,4,5-trichlorophthalic acid
  • 3,4,5-Trimethoxybenzoic acid 5-[ethyl(2-methoxy-α-methylphenethyl)amino]pentyl ester
  • 3,4,5-Trimethoxycinnamic acid