CAS 3988-03-2 4,4'-Dibromobenzophenone (HCID 72868)

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Basic information

CAS: 3988-03-2
Standard SMILES: O=C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIKey: LFABNOYDEODDFX-UHFFFAOYSA-N
Molecular formula: C13H8Br2O
Average molar mass: 340.01 g/mol
Monoisotopic mass: 337.89418908

Names & identifiers

Preferred name: 4,4'-Dibromobenzophenone
IUPAC: bis(4-bromophenyl)methanone
English name: 4,4'-Dibromobenzophenone
Molecular formula: C13H8Br2O
Molecular weight: 340.01

Names & synonyms

4,4'-Dibromobenzophenone3988-03-2p,p'-DibromobenzophenoneBis(p-bromophenyl) ketoneBenzophenone, 4,4'-dibromo-DTXSID00192919EINECS 223-632-0NSC 86518RefChem:506622DTXCID90115410Benzophenone, 4,4'-dibromo-(8CI)223-632-0

Show more names

4,4'-DBP4.4'-DibroMobe-DibromobenzophenonePhloroglucinol Impurity 714,4' -dibromodibenzophenone4,4'-dibroMotwoBenzophenone4,4'-Dibromobenzophenone 99%Methanone,bis[4-bromophenyl]-Methanone,bis(4-bromophenyl)-

bis(4-bromophenyl)methanone4,4-DIBROMOBENZOPHENONEMethanone, bis(4-bromophenyl)-MFCD00016330di4-bromophenyl ketoneMethanone, bis[4-bromophenyl]-bis(4-bromophenyl) ketoneNSC86518

Database identifiers

CAS: 3988-03-2
PubChem CID: 72868
DTXSID: DTXSID00192919
ChEMBL: CHEMBL75538
EC Number: 223-632-0
Nikkaji: J79.899A

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 214

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

PesticidesPesticide (4,4-dibromobenzophenone) -> USDA PDB

Physicochemical properties

Melting point: 171 · 171-174 °C(lit.)
Boiling point: 395 °C · 395°C (rough estimate)
Density: 1.6584 · 1.6584 (rough estimate)
refractive index: 1.522 · 1.5220 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Pale Orange to Pale Brown
Water Solubility: 2 · Soluble in ethanol, 2-propanol, acetone and toluene. Miscible with water.
BRN: 2049958 · 2049958
InChI

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
ridadr: UN 2811
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25-37-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4,4'-Dibromobenzophenone is used in the synthesis of high molecular weight poly(p-phenylene) derivatives through palladium-catalyzed polycondensation reaction.

General Description4,4′-Dibromobenzophenone is the main degradation product of bromopropylate in honey.