CAS 77-40-7 5-Pyrimidinecarboxylicacid,6-amino-1,2-dihydro-2-thioxo-,ethyl ester

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5-Pyrimidinecarboxylicacid,6-amino-1,2-dihydro-2-thioxo-,ethyl ester

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Catalog Number

ACM77407

CAS Number

77-40-7

Product Name

5-Pyrimidinecarboxylicacid,6-amino-1,2-dihydro-2-thioxo-,ethyl ester

Structure

Category

Monomers

IUPAC Name

4-[2-(4-hydroxyphenyl)butan-2-yl]phenol

Molecular Weight

242.31g/mol

Molecular Formula

C16H18O2

Canonical SMILES

CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3

InChI Key

HTVITOHKHWFJKO-UHFFFAOYSA-N

Melting Point

120.5 °C;120.5 °C

Solubility

Approximate solubility per 100 g: water <0.1 g;Approximate solubility per 100 g: acetone 266 g; benzene 2.3 g; carbon tetrachloride <0.1 g; ether 133 g; methanol 166 g; V.M.P. naphtha <0.1 g

Color/Form

Crystal or tan granules

Complexity

226

Covalently-Bonded Unit Count

EC Number

201-025-1

Exact Mass

242.13068g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 4.13 (est)

MeSH Entry Terms

2,2-bis(4-hydroxyphenyl)butane;bisphenol B

Monoisotopic Mass

242.13068g/mol

NSC Number

1775

Other Experimental

Henry's Law constant = 1.2X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.2X10-11 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

UNII

1RC731TJJA

Vapor Pressure

2.5X10-7 mm Hg at 25 °C (est)

XLogP3

3.9

MSDS

Download MSDS

COA

Download COA

Spec Sheet

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