CAS 57744-67-9 6-Iodo-2,3-dihydro-1,4-benzodioxine (HCID 2776176)

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Basic information

CAS: 57744-67-9
Standard SMILES: Ic1ccc2c(c1)OCCO2
InChIKey: HZTMYTXWFHBHDC-UHFFFAOYSA-N
Molecular formula: C8H7IO2
Average molar mass: 262.04 g/mol
Monoisotopic mass: 261.94908

Names & identifiers

Preferred name: 6-Iodo-2,3-dihydro-1,4-benzodioxine
IUPAC: 6-iodo-2,3-dihydro-1,4-benzodioxine
English name: 3,4-Ethylenedioxyiodobenzene
Molecular formula: C8H7IO2
Molecular weight: 262.04

Names & synonyms

57744-67-96-iodo-2,3-dihydro-1,4-benzodioxineDTXSID40379868RefChem:308628DTXCID003308946-Iodo-2,3-dihydrobenzo[b][1,4]dioxine3,4-EthylenedioxyiodobenzeneMFCD002214606-iodobenzodioxane6-Iodo-26-iodo-1,4-benzodioxanSCHEMBL10341

Show more names

1,4-Benzodioxin, 2,3-dihydro-6-iodo-2,3-DIHYDRO-6-IODOBENZO[B][1,4]DIOXINE

SCHEMBL294130181-iodo-3,4-ethylenedioxybenzeneSBB0546086-iodo-2H,3H-benzo[e]1,4-dioxin2,3-dihydro-6-iodobenzo[1,4]dioxinAKOS0091578162,3-Dihydro-6-iodo-1,4-benzodioxine6-IODO-1,4-BENZODIOXANE, 97%

Database identifiers

CAS: 57744-67-9
PubChem CID: 2776176
DTXSID: DTXSID40379868
Nikkaji: J726.626J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Boiling point: 98 °C · 98 °C
Density: 1.872 g/cm3 · 1.872 g/cm3
Flash point: 100 · 100-102°C/0.25mm
storage temp.: 2 · 2-8°C
form: liquid
color: clear yellow
Sensitive: Light Sensitive
CAS DataBase Reference: 57744 · 57744-67-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41-51
Safety Statements: 26 · 26-39
HS Code: 2932990090 · 2932990090