Basic information
- CAS
4269-94-7- Standard SMILES
O=c1cc(I)[nH]c(=O)[nH]1- InChIKey
KSLZHGYKGYWHOO-UHFFFAOYSA-N- Molecular formula
- C4H3IN2O2
- Average molar mass
- 237.98 g/mol
- Monoisotopic mass
- 237.92392
Overview
radiolabelled with 123I
Names & identifiers
- Preferred name
- 6-Iodouracil
- IUPAC
- 6-iodo-1H-pyrimidine-2,4-dione
- English name
- 6-Iodouracil
- Molecular formula
- C4H3IN2O2
- Molecular weight
- 237.98
Names & synonyms
6-Iodouracil4269-94-72,4(1H,3H)-Pyrimidinedione, 6-iodo-DTXSID00195389RefChem:104879DTXCID601178806-iodo-1H-pyrimidine-2,4-dioneMFCD013466956-iodopyrimidine-2,4(1H,3H)-dione6-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC51094NSC 51094
Show more names
6-iodouracil:6-iodo-1h-pyrimidine-2,4-dioneN-(3-chlorophenyl)-1-(2-methylprop-1-enyl)-2-pyrrolidinimine
SCHEMBL325682SCHEMBL12964318NSC-51094AKOS015853875SB60535DS-13941SY114298DB-008908
Database identifiers
- CAS
4269-94-7- PubChem CID
- 96083
- DTXSID
DTXSID00195389- Nikkaji
- J2.460.537J
Properties
Computed structural properties
- XLogP
- -0.5
- 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
- Density
- 2.39 · 2.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 6.32 · 6.32±0.10(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C4H3IN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
- InChIKey
- KSLZHGYKGYWHOO-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(I)=CC(=O)N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers45 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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