CAS 58743-83-2 4-Bromo-4'-methoxybiphenyl (HCID 4034005)

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Basic information

CAS: 58743-83-2
Standard SMILES: COc1ccc(-c2ccc(Br)cc2)cc1
InChIKey: CMYZTJCWFRFRIW-UHFFFAOYSA-N
Molecular formula: C13H11BrO
Average molar mass: 263.13 g/mol
Monoisotopic mass: 261.99932707

Names & identifiers

Preferred name: 4-Bromo-4'-methoxybiphenyl
IUPAC: 1-bromo-4-(4-methoxyphenyl)benzene
English name: 4-Bromo-4'-methoxybiphenyl
Molecular formula: C13H11BrO
Molecular weight: 263.13

Names & synonyms

4-Bromo-4'-methoxybiphenyl58743-83-2DTXSID30398664RefChem:520037DTXCID60349523805-467-11-bromo-4-(4-methoxyphenyl)benzene4-Bromo-4'-methoxy-1,1'-biphenylMFCD006719544-Bromo-4'-methoxybiphenyl, 95%STK039487AS-2078

Show more names

AKOS BAR-23284-Bromo-4′-methoxybiphenyl4-(4-Bromophenyl)anisole4-Methoxy-4'-bromobiphenyl4'-Methoxy-4-bromobiphenyl4-bromo-4'-methoxylbiphenyl

4-Bromo-4 inverted exclamation mark -methoxybiphenylPentamethoxyRed1-(4-bromophenyl)-4-methoxybenzeneFT-07397454-bromo-4'-metoxybiphenyl4-(4'-bromophenyl)anisole4'-bromo-4-methoxy-biphenyl4-(4'-bromophenyl)-anisole

Database identifiers

CAS: 58743-83-2
PubChem CID: 4034005
DTXSID: DTXSID30398664
EC Number: 805-467-1
Nikkaji: J90.010I

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 179

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 143 · 143-145 °C(lit.)
Boiling point: 0 °C · 0°C
Density: 1.35 · 1.350±0.06 g/cm3(Predicted)
Flash point: 0 °C · 0°C
storage temp.: Store at room temperature
form: solid
color: Off White
InChI: 1S/C13H11BrO/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
InChIKey: CMYZTJCWFRFRIW-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)-c2ccc(Br)cc2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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.