CAS 2974-94-9 4-Iododiphenyl ether (HCID 520399)

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Basic information

CAS: 2974-94-9
Standard SMILES: Ic1ccc(Oc2ccccc2)cc1
InChIKey: BDKOUDYNKRCDEC-UHFFFAOYSA-N
Molecular formula: C12H9IO
Average molar mass: 296.1 g/mol
Monoisotopic mass: 295.96981

Names & identifiers

Preferred name: 4-Iododiphenyl ether
IUPAC: 1-iodo-4-phenoxybenzene
English name: 4-Iododiphenyl ether
Molecular formula: C12H9IO
Molecular weight: 296.1

Names & synonyms

4-Iododiphenyl etherRefChem:524254675-843-61-Iodo-4-phenoxybenzene2974-94-91-Iodo-4-phenoxy-benzeneBenzene, 1-iodo-4-phenoxy-MFCD000606664-Phenoxyphenyl iodide4-iodophenyl phenyl ether4-phenoxyiodobenzene4,4'-iododiphenyl ether

Show more names

4-iodiphenyl etherp-PhenoxyiodobenzenePhenyl iodophenyl ether4-Iodophenyl phenyletherBenzene,1-iodo-4-phenoxy-1-iodo-4-(2-phenoxyphenyl)benzene

SCHEMBL46981-Iodo-4-phenoxybenzene #SCHEMBL45734824-iododiphenyl ether, AldrichCPRDTXSID00334337AKOS015964702AB91861FS-3945

Database identifiers

CAS: 2974-94-9
PubChem CID: 520399
DTXSID: DTXSID00334337
EC Number: 675-843-6
Nikkaji: J323.620J

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 43 · 43~45℃
Boiling point: 105 · 105-115 °C(Press: 0.01 Torr)
Density: 1.626 · 1.626±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Skin Sens. 1 (33.3%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)

Safety data

hs_code: 2909309090
risk_code: 43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P