2-(4-Chlorobenzoil)benzonium acid

2-(4-Chlorobenzoil)benzonium acid - Names and Identifiers

Name	2-(4-chlorobenzoyl)benzoic acid
Synonyms	CBB NSC 7825 2-(4-Chloro TIMTEC-BB SBB003088 4-Chlro-2-benzoylbenzoic acid 2-Carboxy-4-chlorobenzophenone o-(4-Chlorobenzoyl)benzoic Acid 2-(4-chlorobenzoyl)benzoic acid 2-(4-Chlorobenzoyl) benzoic acid 2-(4-chlorobenzoyl)-benzoic acid 2-(4-Chlorobenzoil)benzonium acid 4'-Chlorobenzophenone-2-carbonic acid 4'-Chlorobenzophenone-2-carboxylic acid
CAS	85-56-3
EINECS	201-615-9
InChI	InChI=1/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey	YWECCEXWKFHHQJ-UHFFFAOYSA-N

2-(4-Chlorobenzoil)benzonium acid - Physico-chemical Properties

Molecular Formula	C14H9ClO3
Molar Mass	260.67
Density	1.357±0.06 g/cm3(Predicted)
Melting Point	149-150 °C (lit.)
Boling Point	470.8±30.0 °C(Predicted)
Flash Point	238.5°C
Water Solubility	136mg/L at 20℃
Solubility	0.28g/l
Vapor Presure	0Pa at 20℃
Appearance	Crystallization
Color	White to Off-White
BRN	649894
pKa	3.26±0.36(Predicted)
PH	3 (1g/l, H2O, 20℃)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.624
MDL	MFCD00002474
Physical and Chemical Properties	Crystallization. Melting point 150-151 °c. Soluble in benzene, ether, ethanol.
Use	Used as pharmaceutical, dye intermediates, for the production of chlorthalidone, 2-chloroanthraquinone, etc

2-(4-Chlorobenzoil)benzonium acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection
WGK Germany	3
TSCA	Yes
HS Code	29183000
Hazard Note	Irritant

2-(4-Chlorobenzoil)benzonium acid - Reference Information

LogP	1 at 25℃
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Use	intermediate of medicine and dye, used in the production of chlorthalidone, 2-chloroanthraquinone, etc. used as pharmaceutical, dye intermediates, used in the production of chlorthalidone, 2-chloroanthraquinone, etc.
production method	obtained from the reaction of phthalic anhydride with Freund-gram: chlorobenzene and anhydrous aluminum trichloride were added to the reaction pot, and phthalic anhydride was slowly added. After addition, the mixture was kept at 75-80 ° C. For 2.5h and cooled. The reaction solution was placed in hydrochloric acid and ice water to be decomposed, and then left to stand for stratification. The chlorobenzene layer was extracted three times with 5% sodium hydroxide solution, the extracts were combined, adjusted to pH 2-3 with hydrochloric acid, filtered and dried to give CBB.

Last Update：2024-04-09 15:16:53

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