Basic information
- CAS
96693-04-8- Standard SMILES
CCCCOc1ccc(I)cc1- InChIKey
QMEHOMNBEJNMHD-UHFFFAOYSA-N- Molecular formula
- C10H13IO
- Average molar mass
- 276.11 g/mol
- Monoisotopic mass
- 276.00111
Names & identifiers
- Preferred name
- 4-Iodo-1-butoxybenzene
- IUPAC
- 1-butoxy-4-iodobenzene
- English name
- 1-Butoxy-4-iodobenzene
- Molecular formula
- C10H13IO
- Molecular weight
- 276.11
Names & synonyms
4-Iodo-1-butoxybenzene96693-04-8DTXSID30469843RefChem:293488DTXCID804206611-BUTOXY-4-IODOBENZENEBenzene, 1-butoxy-4-iodo-MFCD098781431-butoxy-4-iodo-benzene4-butoxyiodobenzeneSCHEMBL92662SCHEMBL6469917
Show more names
1-(n-butoxy)-4-iodobenzene
SCHEMBL21268129QMEHOMNBEJNMHD-UHFFFAOYSA-NAKOS009076425FS-5700CS-0152084E76599F035660
Database identifiers
- CAS
96693-04-8- PubChem CID
- 11637656
- DTXSID
DTXSID30469843- Nikkaji
- J436.241A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 104 · 104-106 °C(Press: 0.5 Torr)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
河北凡博医药科技有限公司15588346797 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
2 records
Compound notes
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