5-Iodo-2,3-dihydro-1-benzofuran
Basic information
- CAS
132464-84-7- Standard SMILES
Ic1ccc2c(c1)CCO2- InChIKey
BSLVNOLUEJOXMR-UHFFFAOYSA-N- Molecular formula
- C8H7IO
- Average molar mass
- 246.04 g/mol
- Monoisotopic mass
- 245.95416284
Names & identifiers
- Preferred name
- 5-Iodo-2,3-dihydro-1-benzofuran
- IUPAC
- 5-iodo-2,3-dihydro-1-benzofuran
- English name
- 5-Iodo-2,3-dihydrobenzo[b]furan
- Molecular formula
- C8H7IO
- Molecular weight
- 246.05
Names & synonyms
5-iodo-2,3-dihydro-1-benzofuranRefChem:536325672-990-85-Iodo-2,3-dihydrobenzofuran132464-84-75-Iodo-2,3-dihydrobenzo[b]furanBenzofuran, 2,3-dihydro-5-iodo-MFCD008170512,3-dihydro-5-iodobenzo[b]furan5-iodo-2,3-dihydro-benzofuranBenzofuran,2,3-dihydro-5-iodo-CDS1_000253
Show more names
BUTTPARK 36\18-192,3-Dihydro-5-iodobenzofuran2,3-Dihydro-5-iodo-1-benzofuran5-Iodine-2,3-dihydroxybenzofuran
Maybridge1_002541DivK1c_001293SCHEMBL1007568SCHEMBL29650705HMS548L11DTXSID90371150BSLVNOLUEJOXMR-UHFFFAOYSA-NHFA46484
Database identifiers
- CAS
132464-84-7- PubChem CID
- 2736133
- DTXSID
DTXSID90371150- EC Number
- 672-990-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 62 · 62-65
- Boiling point
- 275.5 · 275.5±29.0 °C(Predicted)
- Density
- 1.869 · 1.869±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
- InChIKey
- BSLVNOLUEJOXMR-UHFFFAOYSA-N
- SMILES
- IC1=CC=C(OCC2)C2=C1
- Comptox DTXSID
- 90371150 · DTXSID90371150
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- Xi,Xn
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 (75%): 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)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- wgk
- WGK 3
- hs_code
- 2932190090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Related reactions
3 records
Compound notes
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