Dimethyl 5-bromoisophthalate

Basic Information

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CAS Number

51760-21-5

Molecular Formula

C10H9BrO4

Molecular Weight

273.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

87.0 to 91.0 deg-C

Boiling Point

159°C/0.4mmHg

Density

1.505

Water Solubility

Insoluble in water.

Refractive Index

1.546

SMILES

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COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC

InChI

InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3

InChIKey

QUJINGKSNJNXEB-UHFFFAOYSA-N

LogP

2.0223

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

230

Safety Information

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GHS Hazard Pictograms

H301

H319

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SY026145
CS-W008948
51760-21-5
CL9096
Dimethyl 5-bromobenzene-1,3-dicarboxylate
YSSJ01126
1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester
5-bromoisophthalic acid dimethylester
Dimethyl 5-bromoisophthalate #
5-bromoisophthalic acid dimethyl ester
5-Bromoisophthalic acid, dimethyl ester
Dimethyl 5-bromoisophthalate
DS-1835
Dimethyl5-bromoisophthalate
Dimethyl-5-bromoisophthalate
FT-0601889
DTXSID9068667
Dimethyl 5-bromo-1,3-benzenedicarboxylate
NS00032335
EN300-7363682
A929707
AM84195
dimethyl 5-bromoisophtalate
SCHEMBL184614
AKOS000274971
Dimethyl 5-bromoisophthalate, 97%
MFCD00078709
Dimethyl 5-bromoisophthalate, >=98.0% (GC)
5-Bromo-isophthalic acid dimethyl ester
D4068
AC-12317

MDL Number

MFCD00078709

Customs Code

2917399090

FAQ

What are the physical and chemical properties of Dimethyl 5-bromoisophthalate (CAS: 51760-21-5)?

Dimethyl 5-bromoisophthalate (CAS: 51760-21-5) is a crystalline compound with a molecular weight of approximately 219.02 g/mol. It has a high solubility in organic solvents such as acetone and dichloromethane. This compound is known for its poor solubility in water. Reactivity-wise, it is moderately reactive, showing reactivity towards nucleophiles, which can lead to substitution reactions. It is commonly used in organic synthesis and polymer chemistry.

How is Dimethyl 5-bromoisophthalate (CAS: 51760-21-5) typically synthesized?

Dimethyl 5-bromoisophthalate (CAS: 51760-21-5) can be synthesized through the bromination of isophthalic acid followed by esterification with dimethyl alcohol. A common method involves the use of bromine in the presence of a base like sodium hydroxide. The reaction is typically carried out in an organic solvent such as methanol, and the yield can reach up to 85% with good selectivity. This compound is often used as an intermediate in the synthesis of other organic compounds.

What industries use Dimethyl 5-bromoisophthalate (CAS: 51760-21-5)?

Dimethyl 5-bromoisophthalate (CAS: 51760-21-5) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various pharmaceutical intermediates and plays a role in the development of advanced polymer materials. Additionally, it is utilized in the production of sensors and semiconductors where its chemical properties are leveraged.

What precautions should be taken when handling Dimethyl 5-bromoisophthalate (CAS: 51760-21-5)?

When handling Dimethyl 5-bromoisophthalate (CAS: 51760-21-5), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to airborne particles. Spills should be promptly cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.