1,1'-Methylenebis[4-fluorobenzene]
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Basic information
- CAS
457-68-1- Standard SMILES
Fc1ccc(Cc2ccc(F)cc2)cc1- InChIKey
DXQVFHQUHOFROC-UHFFFAOYSA-N- Molecular formula
- C13H10F2
- Average molar mass
- 204.21 g/mol
- Monoisotopic mass
- 204.07505676
Names & identifiers
- Preferred name
- 1,1'-Methylenebis[4-fluorobenzene]
- IUPAC
- 1-fluoro-4-[(4-fluorophenyl)methyl]benzene
- English name
- 4,4'-Difluorodiphenylmethane
- Molecular formula
- C13H10F2
- Molecular weight
- 204.22
Names & synonyms
Bis(4-fluorophenyl)methane457-68-11,1'-Methylenebis(4-fluorobenzene)40KCF8K7O2UNII-40KCF8K7O2BIS(P-FLUOROPHENYL)METHANEDTXSID10196600EINECS 207-274-2EC 207-274-2NSC 51803NSC-518031,1'-methylenebis[4-fluorobenzene]
Show more names
DFDPM4,4'-Difluorobenzylbenzene4，4'-DifluorodiphenylmethaneBis(4-fluorophenyl)methane,99%BIS-(4-FLUORPHENYL)-METHAN 99%4,4'-Difluorodiphenylmethane99%
1-Fluoro-4-(4-fluorobenzyl)benzeneRefChem:70799DTXCID10119091207-274-24,4'-DifluorodiphenylamineDXQVFHQUHOFROC-UHFFFAOYSA-N4,4'-Difluorodiphenylmethane1-fluoro-4-[(4-fluorophenyl)methyl]benzene
Database identifiers
- CAS
457-68-1- PubChem CID
- 96094
- DTXSID
DTXSID10196600- UNII
- 40KCF8K7O2
- EC Number
- 207-274-2
- Nikkaji
- J196.168C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 29 · 29-30 °C(lit.)
- Boiling point
- 258 · 258-260 °C742 mm Hg(lit.)
- Density
- 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
- vapor pressure
- 0.933 Pa · 0.933Pa at 50℃
- refractive index
- 20 · n20/D 1.536(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-30°C
- form
- Crystalline
- color
- White or Colorless to Light yellow
- Specific Gravity
- 1.145 · 1.145
- Water Solubility
- Insoluble in water.
- BRN
- 1956387 · 1956387
- InChI
- InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2
- InChIKey
- DXQVFHQUHOFROC-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 03-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11975
Safety data
- wgk
- 3
- hs_code
- 29036990
- risk_code
- 21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 28A-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312
- REACH Registrations
- Inactive
- Precautionary statements
- P264b-P270-P280-P302+P352-P312-P330-P363-P403-P501c
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Related reactions
4 records
Compound notes
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