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| CAS No.: | 85-56-3 |
|---|---|
| Name: | 2-(4-Chlorobenzoyl)benzoic acid |
| Article Data: | 31 |
| Molecular Structure: | |
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| Formula: | C14H9ClO3 |
| Molecular Weight: | 260.677 |
| Synonyms: | Benzoicacid, o-(p-chlorobenzoyl)- (6CI,7CI,8CI);2-(p-Chlorobenzoyl)benzoic acid;4-Chlorobenzophenone-2'-carboxylic acid;NSC7825;o-(4-Chlorobenzoyl)benzoic acid;o-(p-Chlorobenzoyl)benzoic acid; |
| EINECS: | 201-615-9 |
| Density: | 1.357 g/cm3 |
| Melting Point: | 149-150 °C(lit.) |
| Boiling Point: | 470.8 °C at 760 mmHg |
| Flash Point: | 238.5 °C |
| Solubility: | 溶于苯、乙醚、乙醇。 |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 54.37000 |
| LogP: | 3.26920 |
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| Conditions | Yield |
|---|---|
| With [bmim]Cl*AlCl3 at 60℃; for 4h; Friedel-Crafts reaction; | 89% |
| With aluminum (III) chloride at 60℃; Friedel-Crafts Acylation; Ionic liquid; Irradiation; | 86% |
| Stage #1: phthalic anhydride; chlorobenzene With aluminum (III) chloride at 50℃; for 4h; Friedel Crafts acylation; Stage #2: With hydrogenchloride; water Cooling; | 54% |
| Conditions | Yield |
|---|---|
| With palladium(II) trifluoroacetate; silver carbonate In 1,2-dimethoxyethane at 150℃; for 24h; Sealed tube; chemoselective reaction; | 56% |
- 19936-83-5
2-Chlor-3-(4-chlor-phenyl)-indenon-(1)
- 85-56-3
2-(4-chlorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide; potassium permanganate In pyridine |
- 85-44-9
phthalic anhydride
- 51833-36-4
4-chlorophenylmagnesium chloride
- 85-56-3
2-(4-chlorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| With copper(l) iodide 1.) ether, -10 deg C, 2.) ether, -5 deg C, 2.5 h; Yield given. Multistep reaction; |
- 80764-41-6
4-chlorophenyl-[2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-methanone
- 85-56-3
2-(4-chlorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride Heating; overnight; Yield given; |
- 19312-06-2
4,5-dihydro-4,4-dimethyl-2-phenoxazole
- 85-56-3
2-(4-chlorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) BuLi / 1.) THF, -45 deg C, 2.) -100 deg C 2: 5percent aq. HCl / Heating; overnight View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) BuLi / 1.) THF, -45 deg C, 2.) -100 deg C 2: 5percent aq. HCl / Heating; overnight View Scheme |
- 15726-09-7
cis-2-Chlor-3-(p-chlorphenyl)-3-phenylacrylsaeure
- 85-56-3
2-(4-chlorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: SOCl2 2: aq. KMnO4, NaOH / pyridine View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: palladium diacetate; boron trifluoride diethyl etherate; tert.-butylhydroperoxide; water / dimethyl sulfoxide; 1,4-dioxane / 130 °C 2: hydrogenchloride; water / dimethyl sulfoxide; 1,4-dioxane / 6 h / 100 °C View Scheme |
- 85-56-3
2-(4-chlorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In 1,4-dioxane; dimethyl sulfoxide at 100℃; for 6h; | 42 mg |
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Specification
The Benzoicacid, 2-(4-chlorobenzoyl)-, with the CAS registry number 85-56-3, is also known as 2-(p-Chlorobenzoyl)benzoic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; C13 to C42+; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 201-615-9. This chemical's molecular formula is C14H9ClO3 and molecular weight is 260.67. Its IUPAC name is called 2-(4-chlorobenzoyl)benzoic acid.
Physical properties of Benzoicacid, 2-(4-chlorobenzoyl)-: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.74; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 67.87 cm3; (13)Molar Volume: 192 cm3; (14)Surface Tension: 55.8 dyne/cm; (15)Density: 1.357 g/cm3; (16)Flash Point: 238.5 °C; (17)Enthalpy of Vaporization: 77.26 kJ/mol; (18)Boiling Point: 470.8 °C at 760 mmHg; (19)Vapour Pressure: 1.15E-09 mmHg at 25°C.
Uses of Benzoicacid, 2-(4-chlorobenzoyl)-: it can be used to produce 4-(4-chloro-phenyl)-2-phenyl-2H-phthalazin-1-one with phenylhydrazine. This reaction will need reagent acetic acid.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
(2)InChI: InChI=1S/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)
(3)InChIKey: YWECCEXWKFHHQJ-UHFFFAOYSA-N
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