CAS 484-20-8 Bergapten - Materials / Alfa Chemistry

NAVIGATION

Bergapten

PRICE INQUIRY

Catalog Number

ACM484208

CAS Number

484-20-8

Product Name

Bergapten

Structure

Category

Other Materials

Synonyms

2-g)(1)benzopyran-7-one,4-methoxy-7h-furo(;4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one;4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one;4-Methoxy-7H-furo[3,2-g]chromen-7-one;4-Methoxy-furo[3,2-g]chromen-7-one;5-Methoxy-6,7-furanocoumarin;6-Hydroxy-4-methoxy-5-

Description

Grayish-white microcrystalline powder or yellow fluffy solid. (NTP, 1992);Solid

IUPAC Name

4-methoxyfuro[3,2-g]chromen-7-one

Molecular Weight

216.19

Molecular Formula

C12H8O4

Canonical SMILES

COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChI

InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

InChI Key

BGEBZHIAGXMEMV-UHFFFAOYSA-N

Melting Point

370 °F (sublimes) (NTP, 1992);188.0 °C;188 °C (sublimes);188°C

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);In water, 5 ug/mL;Practically insoluble in boiling water;Slightly soluble in glacial acetic acid, chloroform, benzene, warm phenol; soluble in absolute alcohol: 1 part in 60

Color/Form

Needles from alcohol

Complexity

325

Covalently-Bonded Unit Count

EC Number

207-604-5

Exact Mass

216.042259g/mol

Formal Charge

Heavy Atom Count

Log P

1.93 (LogP);log Kow = 2.0

MeSH Entry Terms

5 Methoxy Psoralen;5 Methoxypsoralen;5-Methoxy Psoralen;5-methoxypsoralen;bergapten;Pentaderm

Monoisotopic Mass

216.042259g/mol

NSC Number

755877;95437

Other Experimental

Henry's Law constant = 4.0X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.06X10-10 cu cm/molecule-sec at 25 °C (est);Ozone reaction rate constant = 2.1X10-17 cu cm/mole-sec at 25 °C (est)

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

4FVK84C92X

UN Number

1759

Vapor Pressure

7.5X10-7 mm Hg at 25 °C (est)

XLogP3

2.3

MSDS