Pimpinellin supplier | CasNO.131-12-4

Name
Pimpinellin
EINECS
CAS No. 131-12-4
Article Data4
CAS DataBase
Density 1.352 g/cm³
Solubility
Melting Point 119°
Formula C₁₃H₁₀O₅
Boiling Point 441 °C at 760 mmHg
Molecular Weight 246.219
Flash Point 220.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,6-Dimethoxy-2H-furo[2,3-h]-1-benzopyran-2-one;
PSA 61.81000
LogP 2.55640

Pimpinellin Specification

The Pimpinellin, with the CAS registry number of 131-12-4, is also known as 5,6-Dimethoxy-2H-furo[2,3-h]-1-benzopyran-2-one. This chemical's molecular formula is C₁₃H₁₀O₅ and molecular weight is 246.21. What's more, both its systematic name and IUPAC name are the same which is called 5,6 Dimethoxyfuro[2,3-h]chromen-2-one.

Physical properties about the Pimpinellin are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.79; (6)ACD/BCF (pH 7.4): 21.79; (7)ACD/KOC (pH 5.5): 315.86; (8)ACD/KOC (pH 7.4): 315.86; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.9 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 63.26 cm³; (15)Molar Volume: 182 cm³; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.352 g/cm³; (18)Flash Point: 220.5 °C; (19)Enthalpy of Vaporization: 69.83 kJ/mol; (20)Boiling Point: 441 °C at 760 mmHg; (21)Vapour Pressure: 5.62E-08 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Iodomethane with 6-Hydroxy-5-methoxy-furo[2,3-h]chromen-2-one. The reaction needs reagent K₂CO₃ and solvent Acetone. The reaction time is 3 hours, and the yield is about 79 %.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C/1Oc3c(\C=C\1)c(OC)c(OC)c2occc23
(2) InChI:InChI=1/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3
(3) InChIKey:BQPRWZCEKZLBHL-UHFFFAOYAQ

Product Name

Pimpinellin

Pimpinellin Specification

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