1-Iodo-3,5-dimethoxybenzene

HCID 640179

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Basic information

CAS: 25245-27-6
Standard SMILES: COc1cc(I)cc(OC)c1
InChIKey: MMOMUEFLZAHIAZ-UHFFFAOYSA-N
Molecular formula: C8H9IO2
Average molar mass: 264.06 g/mol
Monoisotopic mass: 263.96472753

Names & identifiers

Preferred name: 1-Iodo-3,5-dimethoxybenzene
IUPAC: 1-iodo-3,5-dimethoxybenzene
English name: 1-Iodo-3,5-dimethoxybenzene
Molecular formula: C8H9IO2
Molecular weight: 264.06

Names & synonyms

1-iodo-3,5-dimethoxybenzene25245-27-6benzene, 1-iodo-3,5-dimethoxy-DTXSID10348703RefChem:76083DTXCID00299775888-565-7InChI=1/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H1,3-Dimethoxy-5-iodobenzene3,5-Dimethoxyiodobenzene3,5-Dimethoxyphenyl iodideMFCD08729270

Show more names

1-IODO-35-DIMETHOXYBENZENEBenzene,1-iodo-3,5-diMethoxy-

1-Iodo-3,5-dimethoxy-benzeneSCHEMBL388181AC-9714SY0293243,5-Dimethoxy-1-iodobenzeneAM61866A851703benzene, 1-iodo-3,5-dime

Database identifiers

CAS: 25245-27-6
PubChem CID: 640179
DTXSID: DTXSID10348703
EC Number: 888-565-7
Nikkaji: J950.988G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 107

Physicochemical properties

Melting point: 76.5 ℃ · 76.5℃ (methanol )
Boiling point: 304.2 · 304.2±22.0 °C(Predicted)
Density: 1.655 · 1.655±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P362+P364
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.