3,3-(p-Chlorobenzylideno)-bis-4-hydroksykumaryn [Polish]

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Names

[ CAS No. ]:
4322-59-2

[ Name ]:
3,3-(p-Chlorobenzylideno)-bis-4-hydroksykumaryn [Polish]

[Synonym ]:
3,3'-((4-chlorophenyl)methylene)bis(4-hydroxy-2H-chromen-2-one)
PCBD
COUMARIN,3,3'-(p-CHLOROBENZYLIDENE)BIS(4-HYDROXY
3,3'-(4-chlorobenzylidene)-bis[4-hydroxycoumarin]
3,3'-(p-Chlorobenzylideno)-bis-4-hydroksykumaryn [Polish]
3,3'-(4-chlorophenylmethylene)-bis-4-hydroxycoumarin
3,3'-(p-Chlorobenzylidene)bis(4-hydroxycoumarin)

Chemical & Physical Properties

[ Density]:
1.575g/cm3

[ Boiling Point ]:
625.7ºC at 760 mmHg

[ Molecular Formula ]:
C25H15ClO6

[ Molecular Weight ]:
446.83600

[ Flash Point ]:
332.2ºC

[ Exact Mass ]:
446.05600

[ PSA ]:
100.88000

[ LogP ]:
5.14420

[ Index of Refraction ]:
1.742

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN4978000
CHEMICAL NAME :
Coumarin, 3,3'-(p-chlorobenzylidene)bis(4-hydroxy-
CAS REGISTRY NUMBER :
4322-59-2
LAST UPDATED :
199512
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C25-H15-Cl-O6
MOLECULAR WEIGHT :
446.85

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
820 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Vascular - BP lowering not characterized in autonomic section
REFERENCE :
DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 17,163,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
158 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Vascular - BP lowering not characterized in autonomic section
REFERENCE :
DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 17,163,1965
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Vascular - BP lowering not characterized in autonomic section
REFERENCE :
DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 17,163,1965 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
221 mg/kg/7D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 17,163,1965
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
110 mg/kg/11D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
DIPHAH Dissertationes Pharmaceuticae. (Warsaw, Poland) V.1-17, 1949-65. For publisher information, see PJPPAA. Volume(issue)/page/year: 17,163,1965

Safety Information

[ HS Code ]:
2932209090

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Hydroxycoumarin
  • 4-Chlorobenzaldehyde
  • Benzenamine,N-[(4-chlorophenyl)methylene]-

DownStream

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%


Related Compounds

  • tert-butyl (1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
  • 3-(4-Amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-1-hydroxymethylcyclobutanol
  • 1-Amino-3-cyclopropylpropan-2-one
  • 3-(3-Ethoxypropoxy)azetidine
  • 1-(3-ethoxypropyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
  • (R)-3-Amino-3-(3,5-dichlorophenyl)propanamide
  • 3-Amino-1-cyclobutylpropan-1-ol
  • beta,2-Dihydroxybenzenepropanoic Acid
  • 3-{[3-(Trifluoromethyl)phenyl]methyl}piperidin-3-ol
  • 4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methylbenzene-1-sulfonamide
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