2-Bromo-4-iodoanisole

HCID 3376779

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Basic information

CAS: 182056-39-9
Standard SMILES: COc1ccc(I)cc1Br
InChIKey: YIQMMXVWWSWNGR-UHFFFAOYSA-N
Molecular formula: C7H6BrIO
Average molar mass: 312.93 g/mol
Monoisotopic mass: 311.86467491

Names & identifiers

Preferred name: 2-Bromo-4-iodoanisole
IUPAC: 2-bromo-4-iodo-1-methoxybenzene
English name: 2-Bromo-4-iodoanisole
Molecular formula: C7H6BrIO
Molecular weight: 312.93

Names & synonyms

2-Bromo-4-iodoanisole182056-39-9DTXSID80391928RefChem:466564DTXCID90342789858-434-92-bromo-4-iodo-1-methoxybenzeneBenzene, 2-bromo-4-iodo-1-methoxy-MFCD03425935SCHEMBL2498828GEO-02666AKOS009255805

Show more names

2-bromo-4-iodobenzene methyl ether2-Bromo-4-iodo-1-methoxybenzene, 2-Bromo-4-iodophenyl methyl ether

SY239598EN300-1241756AS-813/11402036Z3627769362-bromo-4-iodo-1-methoxy-benzeneAMY28426SCHEMBL1965247HHA05639

Database identifiers

CAS: 182056-39-9
PubChem CID: 3376779
DTXSID: DTXSID80391928
EC Number: 858-434-9
Nikkaji: J2.092.309A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 80 · 80-82 °C(Solv: hexane (110-54-3); toluene (108-88-3))
Boiling point: 285.1 · 285.1±30.0 °C(Predicted)
Density: 2.062 · 2.062±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
form: crystals
color: Off white to faint peach
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.