Basic information
- CAS
53910-10-4- Standard SMILES
O=C1OCc2ccc(I)cc21- InChIKey
GDWUNKJJSAKJSC-UHFFFAOYSA-N- Molecular formula
- C8H5IO2
- Average molar mass
- 260.03 g/mol
- Monoisotopic mass
- 259.93343
Names & identifiers
- Preferred name
- 6-Iodo-3H-isobenzofuran-1-one
- IUPAC
- 6-iodo-3H-2-benzofuran-1-one
- English name
- 6-IODO-3 H-ISOBENZOFURAN-1-ONE
- Molecular formula
- C8H5IO2
- Molecular weight
- 260.03
Names & synonyms
53910-10-46-iodoisobenzofuran-1(3h)-one6-IODO-3H-ISOBENZOFURAN-1-ONE6-Iodophthalide6-iodo-3 h-isobenzofuran-1-one6-iodo-3H-2-benzofuran-1-oneMFCD067395926-IODO-1,3-DIHYDRO-2-BENZOFURAN-1-ONE6-IODO-1(3H)-ISOBENZOFURANONE6-lodo-3H-isobenzofuran-1-one1(3H)-Isobenzofuranone, 6-iodo-SCHEMBL6216899
Show more names
6-Iodoisobenzofuran-1(3H)6-Iodo-1(3H)-isobenzofuranone, 95+%
DTXSID30428314GDWUNKJJSAKJSC-UHFFFAOYSA-N6-Iodo-2-benzofuran-1(3H)-one6-Iodo-3 H -isobenzofuran-1-oneAKOS015853880PB34159DS-12690SY097387
Database identifiers
- CAS
53910-10-4- PubChem CID
- 7174166
- DTXSID
DTXSID30428314
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 382.7 · 382.7±42.0 °C(Predicted)
- Density
- 2.029 · 2.029±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C8H5IO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
- InChIKey
- GDWUNKJJSAKJSC-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC(I)=C2)CO1
- CAS DataBase Reference
- 53910 · 53910-10-4
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H304-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P403+P235-P405
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
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS02
- Hazard statements
- H315-H319-H304-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P403+P235-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers41 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [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]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
ChemeGen 中国
Related reactions
2 records
Compound notes
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