5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside

Basic Information

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CAS Number

107021-38-5

Molecular Formula

C14H15BrClNO6

Molecular Weight

408.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

230℃ (dec.)

Boiling Point

673.9°C at 760 mmHg

Density

1.882

Flash Point

361.3°C

Refractive Index

1.731

Specific Rotation

+142～+149

SMILES

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C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)CO)O)O)O)Cl)Br

InChI

InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14+/m1/s1

InChIKey

OPIFSICVWOWJMJ-YGEXGZRRSA-N

LogP

0.7625000000000008

Topological Polar Surface Area

115.17000000000002 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

421

Synonyms & References

English

X-alpha-Gal
5-bromo-4-chloroindoxyl alpha-D-galactoside
X-?-Gal
FD10031
(2R,3R,4S,5R,6R)-2-(5-bromo-4-chloro-1H-indol-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
B-7141
SCHEMBL153622
5-Bromo-4-chloro-3-indolyl alpha -D-galactopyranoside
5-Bromo-4-chloro-3-indolyl a-D-galactopyranoside
5-Bromo-4-chloro-3-indolyl-alpha-D-galactoside >98%
HY-114522
(2R,3R,4S,5R,6R)-2-((5-Bromo-4-chloro-1H-indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
5-Bromo-4-chloro-3-indolyl-a-D-galactopyranoside
(2R,3R,4S,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5-bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside
AMY41668
CS-0063364
5-Bromo-4-chloro-3-indolyl-alpha-D-galactopyranoside
X-
107021-38-5
CHEBI:75506
Q27145358
5-Bromo-4-chloro-3-indolyl alpha-D-galactopyranoside
5-Bromo-4-chloro-3-indoxyl-alpha-D-galactopyranoside
5-bromo-4-chloro-3-indolyl--d-galactopyranoside
A-Gal
AKOS016843570
5-bromo-4-chloro-3-indolyl alpha-D-galactoside
5-Bromo-4-chloro-3-indolyl alpha-D-galactopyranoside, >=98.0% (HPLC)
a-D-Galactopyranoside,5-bromo-4-chloro-1H-indol-3-yl
AS-67958

MDL Number

MFCD00063780

FAQ

What regulatory guidelines apply to 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5)?

5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5) must comply with GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous substance under GHS, requiring proper labeling and documentation. REACH regulations mandate detailed safety data sheets (SDS) and registration for substances above one tonne per annum. FDA and EPA regulations ensure that handling, storage, and disposal align with environmental protection standards.

Are there alternatives to 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5) in synthesis?

When synthesizing 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5), chemists often consider alternative reagents like bromine and chloroacetic acid as starting materials. Isomers and analogs such as 4-bromo-5-chloro and 6-bromo-3-chloro derivatives can also be explored. These alternatives can offer similar functional groups but with different reactivity profiles, facilitating tailored synthesis strategies.

What is the market or research trend for 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5)?

The research trend for 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5) indicates increasing interest in its use as a bioactive compound in drug discovery. Market trends show a growing focus on natural product analogs and derivatives for medicinal applications. Emerging research fields are exploring its potential in cancer therapy and as a precursor for other bioactive molecules. Price trends reflect the demand for these specialized compounds in academic and pharmaceutical research.

How should waste containing 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5) be handled?

Waste containing 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-galactopyranoside (CAS: 107021-38-5) should be collected in appropriate containers and stored separately to prevent contamination. Professional waste disposal services are recommended for incineration or safe chemical neutralization. Environmental protection measures include ensuring no spillage and proper labeling of waste. Compliance with local and international hazardous waste regulations is essential to minimize environmental impact.