5-Bromo-1,2,3-trimethoxybenzene

Basic Information

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CAS Number

2675-79-8

Molecular Formula

C9H11BrO3

Molecular Weight

247.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

78.0 to 82.0 deg-C

Boiling Point

273°C/747mmHg

Water Solubility

Insoluble in water.

Flash Point

103.7℃

Refractive Index

1.4730 (estimate)

SMILES

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COC1=CC(=CC(=C1OC)OC)Br

InChI

InChI=1S/C9H11BrO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3

InChIKey

XAOOZMATJDXDQJ-UHFFFAOYSA-N

LogP

2.4749000000000008

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

140

Safety Information

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GHS Hazard Pictograms

H317

H319

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3,4,5-trimethoxy-bromobenzene
XAOOZMATJDXDQJ-UHFFFAOYSA-N
SY009102
1,1-[1,4-Phenylenebis(methylene)]bis(4,4-biprridinium)bis(hexafluorophosphate)
FT-0620062
3,4,5-trimethoxyphenylbromide
AM20060582
1-Bromo-3,4,5-trimethoxybenzene
W-107157
DTXSID90181256
2675-79-8
AH-034/32831023
5-Bromo-1,2,3-trimethoxybenzene, 97%
3,4,5-Trimethoxybromobenzene
AKOS005257569
5-bromo-1,2,3-trimethoxy-benzene
EN300-736701
5-Bromo-1,2,3-trimethoxybenzene
5JG6HF8BMB
NS00028186
SCHEMBL429756
PS-5816
MFCD00017169
3,4,5-Trimethoxy-1-bromobenzene
1,2,3-trimethoxy-5-bromobenzene
EINECS 220-223-9
CS-W007414
Benzene, 5-bromo-1,2,3-trimethoxy-
B4739
3,4,5-TRIMETHOXYBROMOBENZENE
BROMOTRIMETHOXYBENZENE

MDL Number

MFCD00017169

Customs Code

2909309090

FAQ

What are the physical and chemical properties of 5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8)?

5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8) is a crystalline solid with a molecular weight of approximately 253.13 g/mol. It has a low solubility in water but is highly soluble in organic solvents like ethanol and acetone. Chemically, it is relatively unreactive under normal conditions, but it can undergo bromination and methoxy substitution reactions. Its melting point is around 122-124°C, and it is slightly soluble in water.

How is 5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8) typically synthesized?

5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8) is typically synthesized by bromination of 1,2,3-trimethoxybenzene using bromine in the presence of cupric chloride as a Lewis acid catalyst. The reaction yields a mixture of isomers, with selectivity towards the mono-brominated product. The yield is around 80-85%.

What industries use 5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8)?

5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8) is primarily used in the pharmaceutical and chemical industries for the synthesis of various organic compounds. It is also utilized in the production of dyes, polymers, and as a reagent in analytical chemistry. Its application in semiconductors and sensors is limited but exists in specialized research settings.

What precautions should be taken when handling 5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8)?

When handling 5-Bromo-1,2,3-trimethoxybenzene (CAS: 2675-79-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation and skin contact. In case of a spill, it should be contained and cleaned up using appropriate absorbent materials. Immediate medical attention should be sought if any exposure occurs. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.