2,4'-Dichlorobenzophenone

HCID 66558

Notes Reactions

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Basic information

CAS: 85-29-0
Standard SMILES: O=C(c1ccc(Cl)cc1)c1ccccc1Cl
InChIKey: YXMYPHLWXBXNFF-UHFFFAOYSA-N
Molecular formula: C13H8Cl2O
Average molar mass: 251.1 g/mol
Monoisotopic mass: 249.99522024

Names & identifiers

Preferred name: 2,4'-Dichlorobenzophenone
IUPAC: (2-chlorophenyl)-(4-chlorophenyl)methanone
English name: 2,4'-Dichlorobenzophenone
Molecular formula: C13H8Cl2O
Molecular weight: 251.11

Names & synonyms

2,4'-Dichlorobenzophenone85-29-0(2-Chlorophenyl)(4-chlorophenyl)methanoneMethanone, (2-chlorophenyl)(4-chlorophenyl)-MFCD00038744(2-chlorophenyl)-(4-chlorophenyl)methanoneBenzophenone, 2,4'-dichloro-o,p-DichlorobenzophenoneNSC 3221o,p'-DichlorobenzophenoneEINECS 201-596-7SCHEMBL2991958

Show more names

dichlorobenzophenone2,4'-DCBPo,p’-DCBPC13H8Cl2O2,4'-DichlorobenzophLABOTEST-BB LT00455493Bifeprunox Impurity 612,4′-Dichlorbenzophenon2,4'-Dichlorobenzopheone

H3N0V78I65NSC-3221di2-chlorophenyl ketone(2-chlorophenyl)(4-chloro phenyl)methanoneD0230D705962,4 inverted exclamation mark -DichlorobenzophenoneQ27279599

Database identifiers

CAS: 85-29-0
PubChem CID: 66558
DTXSID: DTXSID6058920
ChEMBL: CHEMBL1862965
UNII: H3N0V78I65
EC Number: 201-596-7
Nikkaji: J37.614K

Properties

Computed structural properties

XLogP: 4.4
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: 246

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Physicochemical properties

Melting point: 64 °C · 64°C
Boiling point: 214 °C · 214 °C / 22mmHg
Density: 1.393 · 1.3930
refractive index: 1.5555 · 1.5555 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Soluble), Methanol (Slightly)
form: Solid
color: White to Off-White
BRN: 1959090 · 1959090
Henry's Law Constant: 9.2 · 9.2×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
InChIKey: YXMYPHLWXBXNFF-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1Cl)(C1=CC=C(Cl)C=C1)=O
CAS DataBase Reference: 85 · 85-29-0(CAS DataBase Reference)
FDA UNII: 3 N0V78I65 · H3N0V78I65
NIST Chemistry Reference: 2 · 2,4'-Dichlorobenzophenone(85-29-0)
EPA Substance Registry System: Methanone, (2-chlorophenyl)(4-chlorophenyl)- (85-29-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38-38-37-36
Safety Statements: 26 · 26-36/37/39-37
TSCA: TSCA listed
HS Code: 29143990 · 29143990

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.

Warning

H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Methanone, (2-chlorophenyl)(4-chlorophenyl)-

Methanone, (2-chlorophenyl)(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (11.9%)

Safety data

tsca: TSCA listed
hs_code: 29143990
risk_code: 36/37/38-38-37-36
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39-37
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanone, (2-chlorophenyl)(4-chlorophenyl)-: ACTIVE

Applications

Uses2,4''-Dichlorobenzophenone is used in the synthesis of triarylcarbinol analogs of fenarimol as potent inhibitors of Trypanosoma cruzi. It can also be used to prepare fatty acid amide hydrolase inhibitors.