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| CAS No.: | 618-32-6 |
|---|---|
| Name: | Benzoyl bromide |
| Article Data: | 83 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5BrO |
| Molecular Weight: | 185.02 |
| Synonyms: | 618-32-6 |
| EINECS: | 210-544-2 |
| Density: | 1.572 g/cm3 |
| Melting Point: | -24 °C |
| Boiling Point: | 218.5 °C at 760 mmHg |
| Flash Point: | 89.7 °C |
| Appearance: | clear light orange liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34-36/37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 |
| PSA: | 17.07000 |
| LogP: | 2.22170 |
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| Conditions | Yield |
|---|---|
| With dibromoisocyanuric acid In dichloromethane at 20℃; for 5h; Solvent; | 100% |
| With sulfurous dibromide at 80 - 90℃; for 3h; | 96% |
| With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 0.5h; Heating; | 78% |
| With dibromoisocyanuric acid In dichloromethane at 20℃; for 4h; Solvent; | |
| With tert.-butylhydroperoxide; potassium bromide In dichloromethane at 20℃; for 8h; |
| Conditions | Yield |
|---|---|
| With bromine; triphenylphosphine In dichloromethane for 0.25h; Ambient temperature; | 90% |
| With bromocyane; triphenylphosphine In 1,4-dioxane | 78% |
| With aluminum oxide; boron tribromide In benzene at 60℃; for 20h; | 65% |
| Conditions | Yield |
|---|---|
| With benzene |
| Conditions | Yield |
|---|---|
| With bromine |
| Conditions | Yield |
|---|---|
| With phosphorus pentabromide; benzene |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100℃; | |
| With trimethylsilyl bromide Yield given; | |
| With lithium bromide at 75℃; for 4h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| In water; acetonitrile at 20℃; Rate constant; |
| Conditions | Yield |
|---|---|
| With dibromotriphenylphosphorane In dichloromethane for 0.166667h; Ambient temperature; |
| Conditions | Yield |
|---|---|
| With Bromotrichloromethane at 24℃; Rate constant; | |
| With Bromotrichloromethane In hexane at 22.9℃; Rate constant; | |
| With Bromotrichloromethane In acetonitrile at 24.85℃; Kinetics; |
- 101515-76-8
2-mercaptobenzoyl-3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzothieno<2,3-d>pyrimidine
A
- 50629-10-2
bis(3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzothieno<2,3-d>pyrimidin-2-yl) disulfide
B
- 618-32-6
Benzoyl bromide
| Conditions | Yield |
|---|---|
| With bromine In tetrachloromethane Ambient temperature; Yield given; |
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Specification
This chemical is called Benzoyl bromide, and its CAS registry number is 618-32-6. With the molecular formula of C7H5BrO, its product categories are Acid Halides; Carbonyl Compounds; Organic Building Blocks. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the Benzoyl bromide can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.56; (6)ACD/BCF (pH 7.4): 37.56; (7)ACD/KOC (pH 5.5): 466.46; (8)ACD/KOC (pH 7.4): 466.46; (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: 39.37 cm3; (15)Molar Volume: 117.6 cm3; (16)Polarizability: 15.61×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.572 g/cm3; (19)Flash Point: 89.7 °C; (20)Enthalpy of Vaporization: 45.49 kJ/mol; (21)Boiling Point: 218.5 °C at 760 mmHg; (22)Vapour Pressure: 0.125 mmHg at 25°C.
Production method of this chemical: The Benzoyl bromide could be obtained by the reactant of benzoic acid. This reaction needs the reagent of PBr3.
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Uses of this chemical: The Benzoyl bromide could react with tetrahydrofuran, and obtain the benzoic acid-(4-bromo-butyl ester). This reaction needs the reagent of zinc chloride.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: BrC(=O)c1ccccc1
2.InChI: InChI=1/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
3.InChIKey: AQIHMSVIAGNIDM-UHFFFAOYAN