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51-21-8

51-21-8 structural image
Product Name: 5-Fluorouracil
Formula: C4H3FN2O2
Synonyms: 5-FU;5-Fluorouracil;5-Fluorouracil - CAS 51-21-8 - Calbiochem;2,4-Dihydroxy-5-fluoropyrimidine;5-Fluoro-2,4(1H,3H)-pyrimidinedione
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Fluorouracil is a white to nearly white crystalline powder; practically odorless. Used as an anti neoplastic drug, chemosterilant for insects. (EPA, 1998)
Color/Form White to practically white crystalline powder
Odor PRACTICALLY ODORLESS
Boiling Point Decomposes at 282-283 °C; sublimes (0.1 mm): 190-200 °C
Melting Point Decomposes at 540-541 °F (EPA, 1998)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
LogP -0.89
LogS -1.07
Stability/Shelf Life Stable when exposed to air.
Decomposition When heated to decomposition it emits very toxic fumes of /hydrogen fluoride and nitrogen oxides/.
Dissociation Constants 8.02

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H301:Acute toxicity,oral
H351:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 130.08 g/mol
XLogP3 -0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 130.01785550 g/mol
Monoisotopic Mass 130.01785550 g/mol
Topological Polar Surface Area 58.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 199
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-Fluorouracilis, also called 5FU. It is used to treat many types of cancer. Fluorouracil is a white to nearly white crystalline powder, practically odorless. Used as an anti neoplastic drug, chemosterilant for insects.

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