3-Bromobenzoyl chloride

Basic Information

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CAS Number

1711-09-7

Molecular Formula

C7H4BrClO

Molecular Weight

219.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

74-75 °C/0.5 mmHg

Refractive Index

n20/D 1.595(lit.)

SMILES

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C1=CC(=CC(=C1)Br)C(=O)Cl

InChI

InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H

InChIKey

PBOOZQFGWNZNQE-UHFFFAOYSA-N

LogP

2.828100000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

138

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

1711-09-7
Benzoyl chloride, 3-bromo-
M-Bromobenzoylchloride
3-Brom-benzoylchlorid
AKOS009158318
3-bromobenzoic acid chloride
PS-10793
AM86688
SCHEMBL168961
NSC 100315
m-Bromobenzoyl chloride
3-bromo-benzoyl chloride
MFCD00000669
3-Bromo-benzoylchloride
F2190-0065
EINECS 216-978-9
Benzoyl chloride, m-bromo-
3-bromo-benzoic acid chloride
3-bromo-phenyl carboxylic acid chloride
3-bromo benzoyl chloride
InChI=1/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4
NSC100315
J-512095
3-bromobenzoic chloride
3-Bromobenzoyl chloride, 98%
NSC-100315
B0557
FT-0615208
3-Bromobenzoyl chloride
NS00025614
3-bromobenzoylchloride

MDL Number

MFCD00000669

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Bromobenzoyl chloride (CAS: 1711-09-7)?

3-Bromobenzoyl chloride (CAS: 1711-09-7) is a crystalline solid with a molecular weight of approximately 229.03 g/mol. It is soluble in most organic solvents but has limited solubility in water. This compound is highly reactive due to the presence of the electrophilic carbonyl and bromine functionalities. It decomposes upon exposure to moisture and light.

How is 3-Bromobenzoyl chloride (CAS: 1711-09-7) typically synthesized?

3-Bromobenzoyl chloride is typically synthesized by the reaction of benzoic acid with phosphorus oxychloride in the presence of a catalytic amount of phosphorous tribromide. The reaction is carried out in an inert atmosphere to prevent decomposition. This method provides good yield and selectivity.

What industries use 3-Bromobenzoyl chloride (CAS: 1711-09-7)?

3-Bromobenzoyl chloride (CAS: 1711-09-7) is used in the pharmaceutical industry for the synthesis of various compounds, in polymer chemistry for functionalization of polymers, and in the production of sensors and semiconductors for its reactive and substituent-directing properties.

What precautions should be taken when handling 3-Bromobenzoyl chloride (CAS: 1711-09-7)?

When handling 3-Bromobenzoyl chloride (CAS: 1711-09-7), it is important to wear personal protective equipment such as gloves, goggles, and a lab coat. Use in a fume hood is recommended to minimize exposure. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.