Pentachlorobenzoic acid

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Names

[ CAS No. ]:
1012-84-6

[ Name ]:
Pentachlorobenzoic acid

[Synonym ]:
BENZOIC ACID,PENTACHLORO
Perchlorbenzoesaeure
pentachlorobenzoic acid
Perchlorobenzoic acid
Pentachlor-benzoesaeure

Chemical & Physical Properties

[ Density]:
1.82g/cm3

[ Boiling Point ]:
379.1ºC at 760mmHg

[ Molecular Formula ]:
C7HCl5O2

[ Molecular Weight ]:
294.34700

[ Flash Point ]:
183ºC

[ Exact Mass ]:
291.84200

[ PSA ]:
37.30000

[ LogP ]:
4.65180

[ Vapour Pressure ]:
2.02E-06mmHg at 25°C

[ Index of Refraction ]:
1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6190000
CHEMICAL NAME :
Benzoic acid, pentachloro-
CAS REGISTRY NUMBER :
1012-84-6
BEILSTEIN REFERENCE NO. :
0986504
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H-Cl5-O2
MOLECULAR WEIGHT :
294.33
WISWESSER LINE NOTATION :
QVR BG CG DG EG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

Safety Information

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon dioxide
  • Hexachlorobenzene
  • octachlorostyrene
  • 1,2,3,4,5-pentachloro-6-(2-chloroethynyl)benzene
  • Benzaldehyde,2,3,4,5,6-pentachloro-
  • 2,3-Dichlorobenzoic acid
  • 3,4-Dichlorobenzoic acid
  • benzoic acid

DownStream

  • 3,4,5-Trichlorobenzoic acid
  • pentachlorobenzoyl 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

  • sodium,2,3,4,5,6-pentachlorobenzoic acid
  • Octanethioic acid S-propyl ester
  • Hexanethioic acid S-decyl ester
  • Thiopropionic acid S-undecyl ester
  • trisporic acid
  • Benzenesulfonic acid, 3,3-methylenebis2,4(or 4,6)-dihydroxyphenyleneazobis-, potassium sodium salt
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 2-(3-methoxyphenyl)-N-(5-methyl-2-phenyloxazolo[5,4-b]pyridin-6-yl)acetamide
  • 1-methyl-N-(2-(5-methyl-3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)-3-phenyl-1H-pyrazole-5-carboxamide
  • tert-Butyl-DL-alanine