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59-14-3

59-14-3 structural image
Product Name: Broxuridine
Formula: C9H11BrN2O5
Synonyms: brdu;5-BrdU;5-Bromo-1-(2-deoxy-β-D-ribofuranosyl)uracil;5-Bromo-2′-deoxyuridine;5-Bromouracil deoxyriboside
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 5-bromo-2'-deoxyuridine is a white crystalline powder. (NTP, 1992)
Color/Form Crystals from absolute ethanol
Melting Point 365 to 369 °F (NTP, 1992)
Solubility 10 to 50 mg/mL at 72 °F (NTP, 1992)
LogP log Kow = -0.29
Stability/Shelf Life Solid BrdU is stable in the dark to heat and humidity for 3 months at temperatures below 60 °C. On exposure to sunlight there is discoloration to grayish-brown. Ultraviolet irritations of frozen aqueous solutions of BrdU results in liberation of bromide ion and formation of a debrominated dimer, while radiolysis of aqueous solutions in the presence of oxygen yields mainly bromide, isodialuric acid deoxyriboside, and smaller amounts of various oxygenated derivatives.
Optical Rotation (c = 1, 0.1 N NaOH) [a]20 D = +31 ± 1°
Decomposition When heated to decomposition it emits very toxic fumes of /hydrogen bromide and nitrogen oxides/.

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H340:Germ cell mutagenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 307.10 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 305.98513 g/mol
Monoisotopic Mass 305.98513 g/mol
Topological Polar Surface Area 99.1 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 386
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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-bromo-2'-deoxyuridine is a white crystalline powder. (NTP, 1992)

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