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13679-70-4

13679-70-4 structural image
Product Name: 5-Methylthiophene-2-carboxaldehyde
Formula: C6H6OS
Synonyms: bread thiophene;NSC 87542
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pale yellow, gold, orange or dark brown liquid; roasted, nutty odour
Solubility Soluble in most organic solvents
Density 1.168-1.172
Refractive Index 1.574-1.586
Kovats Retention Index 1077 1078 1082 1082 1087 1087 1060 1089 1088 1085 1087 1095 1086 1129 1062 1132 1077 1139.6

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 126.18 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 126.01393598 g/mol
Monoisotopic Mass 126.01393598 g/mol
Topological Polar Surface Area 45.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 92.5
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5-Methyl-2-thiophenecarboxaldehyde is a member of thiophenes.