Benzoyl bromide supplier | CasNO.618-32-6

Name
Benzoyl bromide
EINECS 210-544-2
CAS No. 618-32-6
Article Data83
CAS DataBase
Density 1.572 g/cm³
Solubility
Melting Point -24 °C
Formula C₇H₅BrO
Boiling Point 218.5 °C at 760 mmHg
Molecular Weight 185.02
Flash Point 89.7 °C
Transport Information UN 3265
Appearance clear light orange liquid
Safety 26-36/37/39-45
Risk Codes 14-34-36/37
Molecular Structure
Hazard Symbols C
Synonyms 618-32-6
PSA 17.07000
LogP 2.22170

Synthetic route

: 100-52-7
benzaldehyde

: 618-32-6
Benzoyl bromide

Conditions

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;

: 65-85-0
benzoic acid

: 618-32-6
Benzoyl bromide

Conditions

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%

: 532-32-1
sodium benzoate

: 15219-34-8
Oxalyl bromide

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With benzene

: 103-50-4
dibenzyl ether

A: 618-32-6
Benzoyl bromide

B: 100-39-0
benzyl bromide

Conditions

Conditions	Yield
With bromine

: 532-32-1
sodium benzoate

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With phosphorus pentabromide; benzene

: 98-88-4
benzoyl chloride

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With hydrogen bromide at 100℃;
With trimethylsilyl bromide Yield given;
With lithium bromide at 75℃; for 4h; Inert atmosphere;

: 558-13-4
carbon tetrabromide

: 2652-65-5
benzoyl radical

A: 618-32-6
Benzoyl bromide

B: 4471-18-5
tribromomethyl

Conditions

Conditions	Yield
In water; acetonitrile at 20℃; Rate constant;

...Expand

: 2078-12-8
trimethylsilyl benzoate

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With dibromotriphenylphosphorane In dichloromethane for 0.166667h; Ambient temperature;

: 2652-65-5
benzoyl radical

: 618-32-6
Benzoyl bromide

Conditions

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

Conditions	Yield
With bromine In tetrachloromethane Ambient temperature; Yield given;

: 101515-78-0
1-benzoyl-2-thio-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

Conditions	Yield
With bromine In tetrachloromethane Ambient temperature; Yield given;

: Acetic acid (3aR,4R,6S,7S,7aR)-4-(dibromo-phenyl-methoxy)-2,2,6-trimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester

A: 618-32-6
Benzoyl bromide

B: Acetic acid (3aR,6S,7S,7aR)-4-bromo-2,2,6-trimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane Irradiation;

: 101515-75-7
2-mercaptobenzoyl-3-phenyl-4-oxo-3,4,5,6,7,8-hexahydrobenzothieno<2,3-d>pyrimidine

A: 618-32-6
Benzoyl bromide

B: 101515-79-1
bis(3-phenyl-4-oxo-3,4,5,6,7,8-hexahydrobenzothieno<2,3-d>pyrimidin-2-yl) disulfide

Conditions

Conditions	Yield
With bromine In tetrachloromethane Ambient temperature; Yield given;

: 101515-77-9
1-benzoyl-2-thio-3-phenyl-4-oxo-3,4,5,6,7,8-hexahydrobenzothieno<2,3-d>pyrimidine

A: 618-32-6
Benzoyl bromide

B: 101515-79-1
bis(3-phenyl-4-oxo-3,4,5,6,7,8-hexahydrobenzothieno<2,3-d>pyrimidin-2-yl) disulfide

Conditions

Conditions	Yield
With bromine In tetrachloromethane Ambient temperature; Yield given;

: Acetic acid (3aS,4R,6R,7R,7aS)-6-acetoxymethyl-4-(dibromo-phenyl-methoxy)-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester

A: 618-32-6
Benzoyl bromide

B: Acetic acid (3aS,6R,7R,7aS)-6-acetoxymethyl-4-bromo-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane Irradiation;

: Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[(3aR,4S,6S,7S,7aR)-4-(dibromo-phenyl-methoxy)-2,2,6-trimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yloxy]-tetrahydro-pyran-3-yl ester

A: 618-32-6
Benzoyl bromide

B: 126841-31-4
Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-((3aR,6S,7S,7aR)-4-bromo-2,2,6-trimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yloxy)-tetrahydro-pyran-3-yl ester

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane Irradiation;

: (3aS,4S,6R,6aS)-4-(Dibromo-phenyl-methoxy)-6-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole

A: 618-32-6
Benzoyl bromide

B: 38838-12-9, 65502-92-3, 72234-03-8
(3aS,6R,6aS)-4-Bromo-6-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane Irradiation;

: Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(dibromo-phenyl-methoxy)-tetrahydro-pyran-3-yl ester

A: 572-09-8, 3068-32-4, 4026-32-8, 6919-96-6, 13242-53-0, 14227-54-4, 14795-18-7, 19186-59-5, 19285-38-2, 21698-13-5, 29907-26-4, 53369-42-9, 60619-58-1, 61303-35-3, 67337-79-5, 69127-37-3, 70749-15-4, 72002-90-5, 75247-30-2, 75880-74-9, 78418-57-2, 102339-89-9, 102339-90-2, 103530-40-1, 114028-03-4, 114718-45-5, 138514-70-2, 138514-71-3
2,3,4,6-tetra-O-acetyl-D-glucopyranosyl bromide

B: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane for 1.08333h; Irradiation;

: Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(dibromo-phenyl-methoxy)-tetrahydro-pyran-3-yl ester

A: 3068-32-4
1-bromo-2,3,4,6-tetra-O-acetyl-D-galactopyranose

B: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane Irradiation;

: Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(dibromo-phenyl-methoxy)-tetrahydro-pyran-3-yl ester

A: 572-09-8, 3068-32-4, 4026-32-8, 6919-96-6, 13242-53-0, 14227-54-4, 14795-18-7, 19186-59-5, 19285-38-2, 21698-13-5, 29907-26-4, 53369-42-9, 60619-58-1, 61303-35-3, 67337-79-5, 69127-37-3, 70749-15-4, 72002-90-5, 75247-30-2, 75880-74-9, 78418-57-2, 102339-89-9, 102339-90-2, 103530-40-1, 114028-03-4, 114718-45-5, 138514-70-2, 138514-71-3
2,3,4,6-tetra-O-acetyl-D-glucopyranosyl bromide

B: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane Irradiation;

: Acetic acid (2R,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(dibromo-phenyl-methoxy)-tetrahydro-pyran-3-yl ester

A: 3068-32-4
1-bromo-2,3,4,6-tetra-O-acetyl-D-galactopyranose

B: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
With Bromotrichloromethane In tetrachloromethane Irradiation;

: 75732-41-1
tert-butyldimethylsilyl benzoate

: 1034-39-5
dibromotriphenylphosphorane

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;
In dichloromethane for 0.25h; Product distribution; Ambient temperature; other trialkylsilyl esters and trialkylsilyl ethers, var. time;

: 100-39-0
benzyl bromide

boiling benzyl bromide: boiling benzyl bromide

A: 618-32-6
Benzoyl bromide

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
Einleiten von Sauerstoff und HBr;

...Expand

: 10035-10-6, 12258-64-9
hydrogen bromide

: 98-88-4
benzoyl chloride

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
at 100℃;

: 7789-60-8
phosphorus tribromide

: 65-85-0
benzoic acid

: 618-32-6
Benzoyl bromide

: 10035-10-6, 12258-64-9
hydrogen bromide

: 98-88-4
benzoyl chloride

CS2: CS2

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
at 18℃;

...Expand

: 7727-15-3
aluminium bromide

: 98-88-4
benzoyl chloride

CS2: CS2

: 618-32-6
Benzoyl bromide

Conditions

Conditions	Yield
at 18℃;

...Expand

: 54040-66-3
benzoyl-trityl-diazene

: 7726-95-6
bromine

: 71-43-2
benzene

A: 618-32-6
Benzoyl bromide

B: 596-43-0
bromo-triphenyl-methane

...Expand

Benzoyl bromide 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.

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.

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

Product Name

Benzoyl bromide

Synthetic route

Benzoyl bromide Specification

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