4-Bromo-4'-methylbiphenyl
Basic information
- CAS
50670-49-0- Standard SMILES
Cc1ccc(-c2ccc(Br)cc2)cc1- InChIKey
MYWLXURJCXISCT-UHFFFAOYSA-N- Molecular formula
- C13H11Br
- Average molar mass
- 247.13 g/mol
- Monoisotopic mass
- 246.00441
Names & identifiers
- Preferred name
- 4-Bromo-4'-methylbiphenyl
- IUPAC
- 1-bromo-4-(4-methylphenyl)benzene
- English name
- 4-Bromo-4'-methylbiphenyl
- Molecular formula
- C13H11Br
- Molecular weight
- 247.13
Names & synonyms
4-Bromo-4'-methylbiphenyl50670-49-0DTXSID10334601RefChem:520038DTXCID80285691806-631-54-Bromo-4'-methyl-1,1'-biphenyl1-bromo-4-(4-methylphenyl)benzeneMFCD004662361,1'-Biphenyl, 4-bromo-4'-methyl-Biphenyl, 4-bromo-4'-methyl-4'-bromo-4-methyl-biphenyl
Show more names
AKOS BAR-23304-BrroMo-4-Methylbiphenyl4-Bromo-4'-methylbiphenyl,97%4-Bromo-4′-methylbiphenyl, CAS 50670-49-0
1-bromo-4-(p-tolyl)benzene4-Bromo-4\'-methylbiphenylSCHEMBL260551SCHEMBL2096471SCHEMBL15063674SCHEMBL150638444-bromo-1-(4-methylphenyl)benzeneAKOS004116383
Database identifiers
- CAS
50670-49-0- PubChem CID
- 521291
- DTXSID
DTXSID10334601- EC Number
- 806-631-5
- Nikkaji
- J724.552A
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 136 ℃ · 136℃
- Boiling point
- 314 · 314-315 °C
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Yellow to Orange
- Water Solubility
- Slightly soluble in water.
- NIST Chemistry Reference
- 1 · 1,1'-Biphenyl, 4-bromo-4'-methyl-(50670-49-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2903998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-4'-methylbiphenyl is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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