CAS No.586-75-4,4-Bromobenzoyl chloride Suppliers,MSDS download

Products Categories

Pharmaceutical (53)
Organic Chemicals (19)
Others (6)
Reagent (2)
Catalyst and Auxiliary (1)

Basic Information

Molecular Structure:
CAS No.:	586-75-4
Name:	4-Bromobenzoyl chloride
Article Data:	132

Formula:	C₇H₄BrClO
Molecular Weight:	219.465
Synonyms:	Benzoylchloride, p-bromo- (6CI,7CI,8CI);4-Bromo-1-benzenecarbonyl chloride;NSC 7091;p-Bromobenzoyl chloride;
EINECS:	209-580-1
Density:	1.662 g/cm³
Melting Point:	36-39 °C(lit.)
Boiling Point:	246.7 °C at 760 mmHg
Flash Point:	103 °C
Solubility:	Soluble in methanol. Reacts with water forming Hcl.
Appearance:	Pale yellow crystalline
Hazard Symbols:	C
Risk Codes:	34-37
Safety:	26-36/37/39-45
Transport Information:	UN 3261 8/PG 2
PSA:	17.07000
LogP:	2.82810

Synthetic route

: 586-76-5
4-Bromobenzoic acid

: 586-75-4
4-chlorobenzoyl chloride

Conditions

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

Conditions	Yield
With (Xantphos)Pd(4-C6H4NO2)(I) In benzene at 90℃; for 20h; Sealed tube; Inert atmosphere;	A n/a B 93%

...Expand

: 108-86-1
bromobenzene

: 79-37-8
oxalyl dichloride

: 586-75-4
4-chlorobenzoyl chloride

Conditions

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;

: 79-37-8
oxalyl dichloride

: 586-76-5
4-Bromobenzoic acid

: 586-75-4
4-chlorobenzoyl chloride

: 121776-79-2
4-bromobenzoyl radical

: 586-75-4
4-chlorobenzoyl chloride

Conditions

Conditions	Yield
With tetrachloromethane In various solvent(s) at 22.9℃; Rate constant;

: 79-37-8
oxalyl dichloride

sodium-4-bromo benzoate: sodium-4-bromo benzoate

: 586-75-4
4-chlorobenzoyl chloride

Conditions

Conditions	Yield
With benzene

: 56-23-5
tetrachloromethane

: (4-bromo-benzoyl)-trityl-diazene

A: 1-(4-bromo-phenyl)-2,2,2-triphenyl-ethanone

B: 586-75-4
4-chlorobenzoyl chloride

C nitrogen: nitrogen

...Expand

: 99-90-1
para-bromoacetophenone

: 586-75-4
4-chlorobenzoyl chloride

Conditions

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

Conditions	Yield
With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide

: 1122-91-4
4-bromo-benzaldehyde

: 586-75-4
4-chlorobenzoyl chloride

Conditions

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;

Total:67 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 586-75-4

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