4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one

Modify Date: 2025-08-25 12:29:50

4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one Structure
4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one structure
 Common Name 4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one
CAS Number 5580-94-9 Molecular Weight 274.11400
Density 1.83g/cm3 Boiling Point 380.5ºC at 760 mmHg
Molecular Formula C9H12BrN3O2 Melting Point N/A
MSDS N/A Flash Point 183.9ºC

 Names

Name 4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.83g/cm3
Boiling Point 380.5ºC at 760 mmHg
Molecular Formula C9H12BrN3O2
Molecular Weight 274.11400
Flash Point 183.9ºC
Exact Mass 273.01100
PSA 70.14000
LogP 1.86830
Index of Refraction 1.7
InChIKey VPNCDRSZEJJPSI-UHFFFAOYSA-N
SMILES Nc1nc(=O)n(C2CCCCO2)cc1Br

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HA6000000
CHEMICAL NAME :
Cytosine, 5-bromo-1-(tetrahydropyran-2-yl)-
CAS REGISTRY NUMBER :
5580-94-9
BEILSTEIN REFERENCE NO. :
1577609
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-Br-N3-O2
MOLECULAR WEIGHT :
274.15
WISWESSER LINE NOTATION :
T6OTJ B- AT6NVNJ DZ EE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06979

 Synonyms

4-amino-5-bromo-1-tetrahydropyran-2-yl-1H-pyrimidin-2-one
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Chemsrc provides CAS#:5580-94-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one>> amp version: 4-amino-5-bromo-1-(oxan-2-yl)pyrimidin-2-one

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