(5-Bromo-1H-indol-3-yl)acetic acid

Basic Information

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CAS Number

40432-84-6

Molecular Formula

C10H8BrNO2

Molecular Weight

254.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

143-145 °C

Boiling Point

465.9℃ at 760 mmHg

Flash Point

235.6°C

Refractive Index

1.6320 (estimate)

SMILES

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C1=CC2=C(C=C1Br)C(=CN2)CC(=O)O

InChI

InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)

InChIKey

WTFGHMZUJMRWBK-UHFFFAOYSA-N

LogP

2.5575

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

234

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

光 sensitive

Synonyms & References

English

2-(5-bromo-1H-indol-3-yl)acetic acid;(5-Bromo-1H-indol-3-yl)-aceticacid
CS-W008295
FT-0620161
A6764
B-8550
SCHEMBL1519655
Q27453243
BDBM50201889
AC-9216
ethyl-2-chlorophenylacetate
BCP27605
DS-12031
MFCD00005637
5-BR-IAA
JC6F5DNA2X
(5-Bromo-1H-indol-3-yl)-acetic acid
4ojq
CHEMBL82440
40432-84-6
5-Bromoindole-3-acetic acid, 97%
5-Bromoindole-3-aceticacid
2-(5-bromo-1H-indol-3-yl)-acetic acid
5-Bromoindole-3-acetic acid
NSC 88145
EN300-49939
(5-bromo-1H-indol-3-yl)acetic acid
2SX
NSC-88145
NSC88145
1h-indole-3-acetic acid, 5-bromo-
UNII-JC6F5DNA2X

MDL Number

MFCD00005637

Customs Code

29339990

FAQ

What regulatory guidelines apply to (5-Bromo-1H-indol-3-yl)acetic acid (CAS: 40432-84-6)?

The (5-Bromo-1H-indol-3-yl)acetic acid (CAS: 40432-84-6) is regulated under various international and regional guidelines. In the European Union, it falls under REACH regulations requiring registration for manufacturers and importers. For transportation and import/export, the Globally Harmonized System (GHS) classifications must be considered. Additionally, the U.S. FDA and EPA have specific requirements for its use and disposal in pharmaceutical and agricultural applications.

Are there alternatives to (5-Bromo-1H-indol-3-yl)acetic acid in synthesis (CAS: 40432-84-6)?

Several alternatives to (5-Bromo-1H-indol-3-yl)acetic acid (CAS: 40432-84-6) can be used in synthesis. Common analogs include bromoindoles, indole derivatives, and related acetic acid derivatives. Isomers such as 1H-indol-3-ylacetic acid and 1H-indol-5-ylacetic acid can also serve as alternatives. Substitutes like 2-bromoindole can be used as a precursor in synthetic routes.

What is the market or research trend for (5-Bromo-1H-indol-3-yl)acetic acid (CAS: 40432-84-6)?

The market for (5-Bromo-1H-indol-3-yl)acetic acid (CAS: 40432-84-6) is growing due to its applications in pharmaceuticals and agriculture. Research trends focus on its use as an herbicide and as a plant growth regulator. Market demand is driven by its ability to enhance crop yield and improve plant health. Recent studies explore its potential in treating various diseases, making it a promising compound in both industry and academia.

How should waste containing (5-Bromo-1H-indol-3-yl)acetic acid (CAS: 40432-84-6) be handled?

Waste containing (5-Bromo-1H-indol-3-yl)acetic acid (CAS: 40432-84-6) should be handled carefully to minimize environmental impact. Collect waste in appropriate containers and ensure proper labeling. For disposal, consult local regulations and seek professional waste management services. Incineration is an effective method for disposal, but ensure compliance with environmental protection standards. Always wear protective gear and follow safety protocols during handling and disposal processes.