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  • 4,4-Dichlorobenzophenone
Name:4,4-Dichlorobenzophenone
CAS No:90-98-2

PRODUCT DESCRIPTION

【Name】
4,4'-Dichlorobenzophenone
【Iupac name】
bis(4-chlorophenyl)methanone
【CAS Registry number】
90-98-2
【Synonyms】
Benzophenone,4,4'-dichloro- (6CI,8CI)
p-Dichlorobenzophenone
Bis(4-chlorophenyl)ketone
Bis(4-chlorophenyl)methanone
Bis(p-chlorophenyl) ketone
DBP(degradation product)
DCBP
DCBP (ketone)
Di(4-chlorophenyl) ketone
Di(p-chlorophenyl) ketone
NSC 8787
p,p'-Dichlorobenzophenone
4,4'-Dichloro Benzophenone
Methanone,bis(4-chlorophenyl)-
【EINECS(EC#)】
202-030-1
【Molecular Formula】
C13H8Cl2O (Products with the same molecular formula)
【Molecular Weight】
251.11
【Inchi】
InChI=1/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
【InChIKey】
OKISUZLXOYGIFP-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
【MOL File】
90-98-2.mol

Chemical and Physical Properties

【Appearance】
faintly yellow crystalline powder
【Density】
1.311 g/cm3
【Melting Point】
144-147℃
【Boiling Point】
353℃
【Refractive Index】
1.603 
【Flash Point】
156.2 ºC
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:251.10802 [g/mol]
Molecular Formula:C13H8Cl2O
XLogP3:4.9
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:249.99522
MonoIsotopic Mass:249.99522
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Formal Charge:0
Complexity:214
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Hazard Note】
Irritant
【Safety】

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of Cl?.
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38 
36/37/38: Irritating to eyes, respiratory system and skin 
Safety Statements: 22-24/25-36-26
22: Do not breathe dust 
24/25: Avoid contact with skin and eyes? 
36: Wear suitable protective clothing? 
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?? 
WGK Germany: 3
RTECS: DJ0525000
Hazard Note: Irritant

【Specification】

faintly yellow crystalline powder
Safety Statements:22-24/25-36-26
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
【Report】

Reported in EPA TSCA Inventory.

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