1,1'-(Chloromethylene)bis(4-fluorobenzene) (HCID 2723773)

Names & identifiers

Preferred name: 1,1'-(Chloromethylene)bis(4-fluorobenzene)
IUPAC: 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
English name: 4,4'-Difluorodiphenylmethylchloride
Molecular formula: C13H9ClF2
Molecular weight: 238.66

Names & synonyms

4,4'-Difluorobenzhydryl chloride1,1'-(Chloromethylene)bis(4-fluorobenzene)Chlorobis(4-fluorophenyl)methaneEINECS 248-201-4JWE8LJ4HVLbis(4-fluorophenyl)methyl chloridebis(p-fluorophenyl)methyl chlorideDTXSID70181532CHLOROBIS(P-FLUOROPHENYL)METHANE4,4'-DIFLUORODIPHENYLMETHYL CHLORIDE1,1'-(chloromethylene)bis[4-fluorobenzene]BENZENE, 1,1'-(CHLOROMETHYLENE)BIS(4-FLUORO-

Show more names

4,4-Difluorodipenylchloromethane4,4'-DifluorodiphenyBis(p-Fluorophenyl)chloromethaBIS(4-FLUOROPHENYL)CHLOROMETHANE

RefChem:70741DTXCID1010402327064-94-44,4'-(Chloromethylene)bis(fluorobenzene)1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene4,4-Difluorodiphenylmethylchloride4,4'-difluorodiphenylmethylchlorideC13H9ClF2

Database identifiers

CAS: 27064-94-4
PubChem CID: 2723773
DTXSID: DTXSID70181532
UNII: JWE8LJ4HVL
EC Number: 248-201-4
Nikkaji: J307.803E

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 184

Physicochemical properties

Boiling point: 126 · 126-128 °C1 mm Hg(lit.)
Density: 1.28 g/mL · 1.28 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.557(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Storage temp. 2-8°C
form: Liquid
color: Clear colorless to slightly yellow
Sensitive: Moisture Sensitive
BRN: 2052680 · 2052680
InChI: InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H
InChIKey: FHPNLCLHMNPLEW-UHFFFAOYSA-N
SMILES: C(C1=CC=C(F)C=C1)(C1=CC=C(F)C=C1)Cl
CAS DataBase Reference: 27064 · 27064-94-4(CAS DataBase Reference)
FDA UNII: 8 LJ4HVL · JWE8LJ4HVL
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes: C,Xi,Xn
Risk Statements: 34 · 34-36/37-38-22
Safety Statements: 26 · 26-27-28-36/37/39-45-38-37/39-28B
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29036990 · 29036990
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

Safety data

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29036990
risk_code: 34-36/37-38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi,Xn
hazard_note: Irritant
safety_code: 26-27-28-36/37/39-45-38-37/39-28B
hazard_class: 8
packing_group: III
Hazard statements: H314-H335
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

UsesChlorobis(4-fluorophenyl)methane is a compound involved in the synthesis of 1-[bis(4-fluorophenyl)methyl]-4-cinnamylpiperazine, a T-type calcium channel blocker and anti-ischemic drug.