Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-

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Names

[ CAS No. ]:
536-08-3

[ Name ]:
Benzoic acid,3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-

[Synonym ]:
3-galloylgallic acid
Digallic acid
Gallic acid,3-gallate
m-Galloylgallic acid
3-galloyloxy-4,5-dihydroxy-benzoic acid
m-Digallic acid
m-digallate
3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
Gallic acid 3-monogallate

Chemical & Physical Properties

[ Density]:
1.815g/cm3

[ Boiling Point ]:
727.8ºC at 760 mmHg

[ Melting Point ]:
267-269ºC

[ Molecular Formula ]:
C14H10O9

[ Molecular Weight ]:
322.22400

[ Flash Point ]:
278ºC

[ Exact Mass ]:
322.03200

[ PSA ]:
164.75000

[ LogP ]:
1.13200

[ Index of Refraction ]:
1.776

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LW7800000
CHEMICAL NAME :
Gallic acid, 3-gallate
CAS REGISTRY NUMBER :
536-08-3
BEILSTEIN REFERENCE NO. :
2177723
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H10-O9
MOLECULAR WEIGHT :
322.24

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 :
2260 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis Gastrointestinal - hypermotility, diarrhea
REFERENCE :
CMAJAX Canadian Medical Association Journal. (Canadian Medical Assoc., POB 8650, Ottawa, ON K1G 0G8, Canada) V.1- 1911- Volume(issue)/page/year: 92,1292,1965

Safety Information

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2,3,4,6-O-Pentagalloylglucose
  • Ethyl chloroformate
  • Gallic acid
  • 3,4,5-tris(methoxycarbonyloxy)benzoic acid
  • 3,5-diacetoxy-4-hydroxy-benzoic acid
  • 4-hydroxy-3,5-bis-methoxycarbonyloxy-benzoic acid
  • Water
  • Carbon tetrachloride
  • Diethyl ether

DownStream

  • Gallic acid
  • Ellagic acid
  • 3,5-dihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%