2-(5-bromo-1H-indol-3-yl)acetic acid

Base Information

Chemical Name:2-(5-bromo-1H-indol-3-yl)acetic acid
CAS No.:40432-84-6
Molecular Formula:C10H8BrNO2
Molecular Weight:254.083
Hs Code.:29339990
European Community (EC) Number:254-917-8
NSC Number:88145
UNII:JC6F5DNA2X
DSSTox Substance ID:DTXSID90193455
Nikkaji Number:J332.419B
Wikidata:Q27453243
ChEMBL ID:CHEMBL82440
Mol file:40432-84-6.mol

Synonyms:40432-84-6;5-Bromoindole-3-acetic acid;2-(5-bromo-1H-indol-3-yl)acetic acid;(5-Bromo-1H-indol-3-yl)-acetic acid;1h-indole-3-acetic acid, 5-bromo-;(5-bromo-1H-indol-3-yl)acetic acid;5-Bromo-3-indoleacetic acid;JC6F5DNA2X;CHEMBL82440;EINECS 254-917-8;MFCD00005637;NSC-88145;5-Bromoindole-3-aceticacid;5-BR-IAA;4ojq;2SX;NSC88145;5-BROMO-1H-INDOLE-3-ACETIC ACID;UNII-JC6F5DNA2X;ethyl-2-chlorophenylacetate;SCHEMBL1519655;DTXSID90193455;BCP27605;5-Bromoindole-3-acetic acid, 97%;BBL037028;BDBM50201889;NSC 88145;STL560137;AKOS005259035;AC-9216;CS-W008295;DS-12031;2-(5-bromo-1H-indol-3-yl)-acetic acid;A6764;AM20060618;FT-0600594;FT-0620161;EN300-49939;B-8550;Q27453243;Z596250880;(5-Bromo-1H-indol-3-yl)-aceticacid

Suppliers and Price of 2-(5-bromo-1H-indol-3-yl)acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
5-Bromoindole-3-acetic acid
500mg
$ 105.00

Sigma-Aldrich
5-Bromoindole-3-acetic acid 97%
1g
$ 193.00

Matrix Scientific
5-Bromoindole-3-acetic acid 95+%
5g
$ 559.00

Matrix Scientific
5-Bromoindole-3-acetic acid 95+%
1g
$ 175.00

Crysdot
2-(5-Bromo-1H-indol-3-yl)aceticacid 95%
10g
$ 144.00

Crysdot
2-(5-Bromo-1H-indol-3-yl)aceticacid 95%
5g
$ 80.00

Crysdot
2-(5-Bromo-1H-indol-3-yl)aceticacid 95%
25g
$ 346.00

Chemenu
2-(5-Bromo-1H-indol-3-yl)aceticacid 95%
25g
$ 324.00

AstaTech
(5-BROMO-1H-INDOL-3-YL)-ACETICACID 97%
5 / G
$ 204.00

AstaTech
(5-BROMO-1H-INDOL-3-YL)-ACETICACID 97%
1 / G
$ 81.00

Total 50 raw suppliers

Chemical Property of 2-(5-bromo-1H-indol-3-yl)acetic acid

Chemical Property:

Appearance/Colour:Off-white to beige crystalline powder
Vapor Pressure:1.75E-09mmHg at 25°C
Melting Point:143-145 °C(lit.)
Refractive Index:1.6320 (estimate)
Boiling Point:465.961 °C at 760 mmHg
PKA:4.36±0.30(Predicted)
Flash Point:235.605 °C
PSA：53.09000
Density:1.746 g/cm³
LogP:2.55750
Storage Temp.:Refrigerator (+4°C)
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:252.97384
Heavy Atom Count:14
Complexity:234

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromoindole-3-acetic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 24/25-36-26-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC2=C(C=C1Br)C(=CN2)CC(=O)O
Uses 5-Bromoindole-3-acetic Acid can be used as reactant/reagent for design and synthesis and evaluation of novel auxin mimic herbicides for weed control activity.

Technology Process of 2-(5-bromo-1H-indol-3-yl)acetic acid

There total 9 articles about 2-(5-bromo-1H-indol-3-yl)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 774-14-1
(5-bromo-1H-indol-3-yl)-acetonitrile

: 40432-84-6
(5-bromo-1H-indol-3-yl)-acetic acid

Guidance literature:: (5-bromo-1H-indol-3-yl)-acetonitrile; With water; potassium hydroxide; In methanol; at 100 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; In water; at 0 ℃; pH=1; Inert atmosphere;
DOI:10.1039/c2ob06695e

Reference yield: 72.0%

: 156695-44-2
2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid

: 40432-84-6
(5-bromo-1H-indol-3-yl)-acetic acid

Guidance literature:: 2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid; With hydrazine hydrate; In 2-ethoxy-ethanol; at 60 ℃; for 0.666667h;

With sodium methylate; In 2-ethoxy-ethanol; at 150 ℃; for 7h;

Reference yield:

: 10075-50-0
5-bromo-1H-indole

: 40432-84-6
(5-bromo-1H-indol-3-yl)-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: diethyl ether / 0.33 h / 0 °C

2: sat. aq. NaHCO₃ / diethyl ether / 0.5 h / Heating

3: methanol / 8 h / Heating

4: NaBH₄ / tetrahydrofuran / 10 h / Heating

With sodium tetrahydroborate; sodium hydrogencarbonate; In tetrahydrofuran; methanol; diethyl ether;
DOI:10.1016/S0040-4039(00)76815-8