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| CAS No.: | 90-98-2 |
|---|---|
| Name: | 4,4'-Dichlorobenzophenone |
| Molecular Structure: | |
|
|
|
| Formula: | C13H8Cl2O |
| Molecular Weight: | 251.112 |
| 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: | 202-030-1 |
| Density: | 1.311 g/cm3 |
| Melting Point: | 144-146 °C(lit.) |
| Boiling Point: | 353 °C at 760 mmHg |
| Flash Point: | 156.2 °C |
| Appearance: | faintly yellow crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 17.07000 |
| LogP: | 4.22440 |
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| Conditions | Yield |
|---|---|
| With potassium hydroxide In water at 0℃; for 72h; | 100% |
| for 6h; Irradiation; | 95 mg |
| for 6h; Product distribution; Mechanism; Irradiation; | 95 mg |
| Conditions | Yield |
|---|---|
| With 4-Benzoylpyridine In acetone at 20℃; for 32h; UV-irradiation; Inert atmosphere; | 99% |
| With chromium(VI) oxide In neat (no solvent) at 20℃; for 0.00833333h; | 98% |
| With picoline; tert.-butylhydroperoxide; chlorophyllin coppered trisodium salt In water; acetone at 80℃; for 10h; chemoselective reaction; | 98% |
- 541-41-3
chloroformic acid ethyl ester
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(4-chlorophenyl)zinc(II) bromide
- 90-98-2
4,4'-Dichlorobenzophenone
| Conditions | Yield |
|---|---|
| at 20℃; for 4.5h; | 99% |
| Conditions | Yield |
|---|---|
| With oxygen; sodium t-butanolate In dimethyl sulfoxide at 50℃; for 5h; Sealed tube; | 98% |
| With 18-crown-6 ether; potassium tert-butylate; oxygen In N,N-dimethyl-formamide at 0 - 20℃; for 3h; Inert atmosphere; | 88% |
| With 2,2'-azobis(isobutyronitrile); oxygen In acetonitrile at 75℃; for 32h; | 68% |
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide In acetic acid for 4h; Heating; | 98% |
| With chromium(VI) oxide; acetic acid | |
| With nitric acid at 100℃; |
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide In neat (no solvent) at 20℃; for 0.0333333h; | 98% |
| With sodium nitrite In water; acetonitrile at 40℃; for 2h; | 96% |
| With diphenyl ditelluride; oxygen In ethyl acetate for 24h; Irradiation; | 96% |
- 1679-18-1
4-Chlorophenylboronic acid
- 122-01-0
4-chloro-benzoyl chloride
- 90-98-2
4,4'-Dichlorobenzophenone
| Conditions | Yield |
|---|---|
| With [Ph2P(ferrocene-1,1′-diyl)ONHCH2CH2NHC(NH2)NH2]Cl*0.4chloroform; palladium diacetate; sodium carbonate In water; toluene at 50℃; for 1h; Schlenk technique; Inert atmosphere; | 98% |
| With [Pd(3-[(2,6-diisopropylphenyl)-1-imidazolio]-2-quinoxalinide)(PPh3)Cl2]; potassium carbonate In water at 100℃; for 3h; Suzuki-Miyaura Coupling; | 84% |
| Conditions | Yield |
|---|---|
| With mercury(II) fluoride; oxygen In acetonitrile at 25℃; for 24h; Irradiation; | 96% |
- 20968-04-1
2,2’-bis(4-(chloro)phenyl)acetonitrile
- 90-98-2
4,4'-Dichlorobenzophenone
| Conditions | Yield |
|---|---|
| With oxygen; potassium carbonate In water; dimethyl sulfoxide Ambient temperature; | 95% |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); sodium acetate; copper(II) trifluoroacetate In cyclohexane at 130℃; for 24h; Suzuki-Miyaura Coupling; Sealed tube; Inert atmosphere; | 95% |
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Chemistry
The Molecular Structure of p-Dichlorobenzophenone (CAS NO.90-98-2):
Empirical Formula: C13H8Cl2O
Molecular Weight: 251.108
IUPAC Name: bis(4-chlorophenyl)methanone
Appearance: faintly yellow crystalline powder
Nominal Mass: 250 Da
Average Mass: 251.108 Da
Monoisotopic Mass: 249.99522 Da
Index of Refraction: 1.603
Molar Refractivity: 65.83 cm3
Molar Volume: 191.4 cm3
Surface Tension: 46 dyne/cm
Density: 1.311 g/cm3
Flash Point: 156.2 °C
Enthalpy of Vaporization: 59.79 kJ/mol
Melting Point: 144-147°C
Boiling Point: 353 °C at 760 mmHg
Vapour Pressure: 3.69E-05 mmHg at 25°C
Stability: Stable. Incompatible with strong oxidizing agents
Product Categories: Chlorobenzene Series;FINE Chemical & INTERMEDIATES;Aromatic Benzophenones & Derivatives (substituted);Benzophenones (for High-Performance Polymer Research);Functional Materials;Photopolymerization Initiators;Reagent for High-Performance Polymer Research
Synonyms: 4,4'-Dichlorobenzophenone ;4-07-00-01376 (Beilstein Handbook Reference) ; AI3-03064 ; BRN 0643345 ; Bis(4-chlorophenyl) ketone ; Bis(4-chlorophenyl)ketone ; Bis(p-chlorophenyl)ketone ; DBP (VAN) ; DBP (degradation product) ; DCBP ; Di(4-chlorophenyl)ketone ; Di(p-chlorophenyl)ketone ; EINECS 202-030-1 ; USAF DO-4 ; p,p'-Dichlorobenzophenone ; Benzophenone, 4,4'-dichloro- ; Methanone, bis(4-chlorophenyl)-
Uses
p-Dichlorobenzophenone (CAS NO.90-98-2) is mainly used as pharmaceutical intermediates.
Production
The process of preparing p-Dichlorobenzophenone (CAS NO.90-98-2) shows as follow. Firstly, fluorobenzene is reacted with formaldehyde under catalysis by organic sulphonic acids to give difluorodiphenylmethane , the product obtained is isolated, and, secondly, oxidized with nitric acid to give 4,4'-difluorobenzophenone .
Toxicity Data With Reference
| 1. | ipr-mus LD50:200 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of Cl−.
Hazard Codes: 
Xi
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