- 4-Bromobenzoyl chloride
- 4-Bromobenzoylacetonitrile
- 586-76-54-Bromobenzoic acid
- 586-77-64-Bromo-N,N-dimethylaniline
- 586-78-7Benzene,1-bromo-4-nitro-
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- 586-89-04-Acetylbenzoic acid
- 58690-81-6Benzenepropanamide, a-(benzoylamino)-4-hydroxy-, (S)-(9CI)
- 586-91-4Benzoic acid,4,4'-(1,2-diazenediyl)bis-
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Cas Database |
| Name |
4-Bromobenzoyl chloride |
EINECS | 209-580-1 |
| CAS No. | 586-75-4 | Density | 1.662 g/cm3 |
| PSA | 17.07000 | LogP | 2.82810 |
| Solubility | Soluble in methanol. Reacts with water forming Hcl. | Melting Point |
36-39 °C(lit.) |
| Formula | C7H4BrClO | Boiling Point | 246.7 °C at 760 mmHg |
| Molecular Weight | 219.465 | Flash Point | 103 °C |
| Transport Information | UN 3261 8/PG 2 | Appearance | Pale yellow crystalline |
| Safety | 26-36/37/39-45 | Risk Codes | 34-37 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
Benzoylchloride, p-bromo- (6CI,7CI,8CI);4-Bromo-1-benzenecarbonyl chloride;NSC 7091;p-Bromobenzoyl chloride; |
Article Data | 132 |
4-Bromobenzoyl chloride Synthetic route
| Conditions | Yield |
|---|---|
| With thionyl chloride In dichloromethane for 18h; Heating; | 100% |
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane for 1h; Product distribution / selectivity; | 100% |
| With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Reflux; | 100% |
- 589-87-7
1,4-bromoiodobenzene
- 122-04-3
4-nitro-benzoyl chloride
A
- 636-98-6
p-nitrobenzene iodide
B
- 586-75-4
4-chlorobenzoyl chloride
| Conditions | Yield |
|---|---|
| With (Xantphos)Pd(4-C6H4NO2)(I) In benzene at 90℃; for 20h; Sealed tube; Inert atmosphere; | A n/a B 93% |
| Conditions | Yield |
|---|---|
| Stage #1: oxalyl dichloride With aluminum (III) chloride In dichloromethane for 0.0833333h; Stage #2: bromobenzene In dichloromethane at 20 - 25℃; for 1h; | 75.9% |
| With aluminium trichloride In dichloromethane at 20℃; for 14h; chlorocarbonylation; Friedel-Crafts reaction; |
- 121776-79-2
4-bromobenzoyl radical
- 586-75-4
4-chlorobenzoyl chloride
| Conditions | Yield |
|---|---|
| With tetrachloromethane In various solvent(s) at 22.9℃; Rate constant; |
| Conditions | Yield |
|---|---|
| With benzene |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: potassium carbonate; [Pd2(2,3-bis[(phenylthio)methyl]quinoxaline(-1H))2Cl2] / water; N,N-dimethyl-formamide / 12 h / 90 °C 1.2: 72 h / 90 °C 2.1: thionyl chloride / Reflux View Scheme |
- 3416-93-1
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline
- 586-76-5
4-Bromobenzoic acid
- 586-75-4
4-chlorobenzoyl chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; N-chloro-succinimide; tris(2,2'-bipyridyl)ruthenium dichloride In acetonitrile at 20℃; for 24h; Sealed tube; Irradiation; | |
| With N-chloro-succinimide; thio-xanthene-9-one In acetonitrile at 20℃; for 7h; Irradiation; |
4-Bromobenzoyl chloride Specification
The Benzoyl chloride,4-bromo- with the CAS number 586-75-4 is also called 4-Bromo-1-benzenecarbonyl chloride. Both the systematic name and IUPAC name are 4-bromobenzoyl chloride. Its molecular formula is C7H4BrClO. The EINECS registry number is 209-580-1. This chemical belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Absolute Configuration Determination (Exciton Chirality CD Method); (3)Analytical Chemistry; (4)Enantiomer Excess & Absolute Configuration Determination; (5)Exciton Chirality CD Method (for Hydroxyl Groups); (6)Acid Halides; (7)Carbonyl Compounds; (8)Organic Building Blocks.
The properties of the Benzoyl chloride,4-bromo- are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.93; (6)ACD/BCF (pH 7.4): 145.93; (7)ACD/KOC (pH 5.5): 1232.27; (8)ACD/KOC (pH 7.4): 1232.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 44.18 cm3; (15)Molar Volume: 132 cm3; (16)Polarizability: 17.51×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Enthalpy of Vaporization: 48.39 kJ/mol; (19)Vapour Pressure: 0.0267 mmHg at 25°C.
Preparation: This chemical can be prepared by 4-bromo-benzoic acid. This reaction needs reagent thionyl chloride and DMF at heating condition. The reaction time is 2.0 hours.
Uses: This chemical can react with thiophene to prepare (4-bromo-phenyl)-thiophen-2-yl-methanone. This reaction needs reagent aluminium chloride and carbon disulfide.
While using this chemical, you should be very cautious. This chemical is irritating to respiratory system. It can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1ccc(Br)cc1
(2)InChI: InChI=1/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
(3)InChIKey: DENKGPBHLYFNGK-UHFFFAOYAR
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