5-Iodo-2,3-dihydro-1-benzofuran

HCID 2736133CAS 132464-84-7

Substructure search Find similar structures

Basic information

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 Å²
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
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
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2932190090 · 2932190090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

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.