1,1'-Methylenebis[4-fluorobenzene]

HCID 96094CAS 457-68-1

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Basic information

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 properties

XLogP: 3.8
Topological polar surface area: 0 Å²
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
CAS DataBase Reference: 457 · 457-68-1(CAS DataBase Reference)
FDA UNII: 40 KCF8K7O2 · 40KCF8K7O2
NIST Chemistry Reference: Bis(4-fluorophenyl)methane(457-68-1)
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312
Precautionary statements: 264 b-P270-P280-P302+P352-P312-P330-P363-P403-P501c · P264b-P270-P280-P302+P352-P312-P330-P363-P403-P501c
Hazard Codes: Xn,Xi
Risk Statements: 21 · 21/22
Safety Statements: 28 A-24/25 · 28A-24/25
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29036990 · 29036990
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Inactive

Safety & regulation

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