Basic information
- CAS
4269-93-6- Standard SMILES
O=c1cc(Br)[nH]c(=O)[nH]1- InChIKey
YQJUVVITEPKZTL-UHFFFAOYSA-N- Molecular formula
- C4H3BrN2O2
- Average molar mass
- 190.98 g/mol
- Monoisotopic mass
- 189.93779
Overview
radiolabelled with 82Br
Names & identifiers
- Preferred name
- 6-Bromouracil
- IUPAC
- 6-bromo-1H-pyrimidine-2,4-dione
- English name
- 6-bromouracil
- Molecular formula
- C4H3BrN2O2
- Molecular weight
- 190.98
Names & synonyms
6-Bromouracil4269-93-66-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC-404760UJ7PKT8SBX2,4(1H,3H)-Pyrimidinedione, 6-bromo-DTXSID40195388RefChem:104341DTXCID50117879155-769-66-bromopyrimidine-2,4(1h,3h)-dione6-bromo-1H-pyrimidine-2,4-dione
Show more names
NSC404760Uracil, 6-bromo-NSC 404760SCHEMBL8188652SCHEMBL8643068EAA269936-Bromo-2,4(1H,3H)-pyrimidinedioneSB57129
Database identifiers
- CAS
4269-93-6- PubChem CID
- 101280
- DTXSID
DTXSID40195388- UNII
- UJ7PKT8SBX
- EC Number
- 155-769-6
- Nikkaji
- J2.078.734A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 260 °C · 260 °C (decomp)
- Density
- 1.965 · 1.965±0.06 g/cm3(Predicted)
- pka
- 6.24 · 6.24±0.10(Predicted)
- FDA UNII
- 7 PKT8SBX · UJ7PKT8SBX
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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