Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Phenprocoumon

Related Products

Hot Products

Name

Phenprocoumon

EINECS 207-108-9
CAS No. 435-97-2 Density 1.262 g/cm3
PSA 50.44000 LogP 4.04050
Solubility 12.9 mg/L in water at 25 °C Melting Point 179.5 °C
Formula C18H16O3 Boiling Point 463.237 °C at 760 mmHg
Molecular Weight 280.323 Flash Point 195.74 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 435-97-2 (Phenprocoumon) Hazard Symbols N/A
Synonyms

Coumarin,3-(a-ethylbenzyl)-4-hydroxy- (8CI);2-Hydroxy-3-(1-phenylpropyl)-4H-chromen-4-one;3-(1-Phenylpropyl)-4-hydroxycoumarin;3-(a-Ethylbenzyl)-4-hydroxycoumarin;3-(a-Phenylpropyl)-4-hydroxycoumarin;2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-;DL-3-(a-Ethylbenzyl)-4-hydroxycoumarin;Falithrom;Fencumar;Liquamar;Marcoumar;Marcumar;Phenprocoumarol;Phenprocoumarole;Ro 1-4849;

Article Data 13

Phenprocoumon Specification

The Phenprocoumon, with the CAS registry number 435-97-2, is also known as 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-. Its EINECS number is 207-108-9. This chemical's molecular formula is C18H16O3 and molecular weight is 280.32. What's more, its systematic name is 4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one. Its classification codes are: (1)Anticoagulant; (2)Anticoagulants; (3)Hematologic Agents. It is an anticoagulant drug, a derivative of coumarin. 

Physical properties of Phenprocoumon are: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 228; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 858; (8)ACD/KOC (pH 7.4): 15; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 79.784 cm3; (15)Molar Volume: 222.132 cm3; (16)Polarizability: 31.629×10-24cm3; (17)Surface Tension: 55.836 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 195.74 °C; (20)Enthalpy of Vaporization: 76.328 kJ/mol; (21)Boiling Point: 463.237 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC=1c3ccccc3OC(=O)C=1C(CC)c2ccccc2
(2)Std. InChI: InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
(3)Std. InChIKey: DQDAYGNAKTZFIW-UHFFFAOYSA-N

The toxicity data is as follows: 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.
mouse LD50 oral 190mg/kg (190mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.
rabbit LD50 intravenous 62mg/kg (62mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.
rabbit LD50 oral 1gm/kg (1000mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.
rat LD50 oral 200mg/kg (200mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 435-97-2