1,1'-Biphenyl, 4,4'-dimethoxy-

HCID 16484CAS 2132-80-1

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Basic information

Standard SMILES: COc1ccc(-c2ccc(OC)cc2)cc1
InChIKey: UIMPAOAAAYDUKQ-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Names & identifiers

Preferred name: 1,1'-Biphenyl, 4,4'-dimethoxy-
IUPAC: 1-methoxy-4-(4-methoxyphenyl)benzene
English name: 4,4'-Dimethoxybiphenyl
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

2132-80-11,1'-Biphenyl, 4,4'-dimethoxy-DTXSID30175593RefChem:1051593DTXCID70980844,4'-Dimethoxy-1,1'-biphenyl4,4'-DIMETHOXYBIPHENYL1-methoxy-4-(4-methoxyphenyl)benzeneMFCD000084024,4'-DI-METHOXY-BIPHENYLNSC 175244,4'-Dimethoxy-biphenyl

Show more names

4,4′-Dimethoxybiphenyl4,4'-DiMethoxylbiphenyl4,4'-Dimethyoxybiphenyl4,4''-Dimethoxybiphenyl4,4'-Dimethoxybiphenyl,98%

4,4 inverted exclamation mark -Dimethoxy-1,1 inverted exclamation mark -biphenyl4,4'-BianisoleNSC17524p-(4-methoxyphenyl)anisole4-(4-met4,4 inverted exclamation marka-Dimethoxybiphenyl4-(4-methoxyphenyl)anisoleMLS000550145

Database identifiers

CAS: 2132-80-1
PubChem CID: 16484
DTXSID: DTXSID30175593
ChEMBL: CHEMBL1735271
Nikkaji: J254.633G

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical diffusion

Physicochemical properties

Melting point: 179 · 179-180 °C (subl.)(lit.)
Boiling point: 314.4 °C · 314.4°C (rough estimate)
Density: 1.0781 · 1.0781 (rough estimate)
refractive index: 1.557 · 1.5570 (estimate)
storage temp.: Store at room temperature
form: solid
Appearance: White to off-white Solid
InChI: 1S/C14H14O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10H,1-2H3
InChIKey: UIMPAOAAAYDUKQ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)-c2ccc(OC)cc2
CAS DataBase Reference: 2132 · 2132-80-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids