5-Chloro-1H-indole-2-carbaldehyde

Base Information

Chemical Name:5-Chloro-1H-indole-2-carbaldehyde
CAS No.:53590-49-1
Molecular Formula:C9H6ClNO
Molecular Weight:179.606
Hs Code.:29339900
European Community (EC) Number:890-866-3
DSSTox Substance ID:DTXSID80480301
Nikkaji Number:J2.798.241G
Wikidata:Q82314993
Mol file:53590-49-1.mol

Synonyms:5-Chloro-1H-indole-2-carbaldehyde;53590-49-1;1H-Indole-2-carboxaldehyde, 5-chloro-;MFCD06800428;5-Chloroindole-2-carboxaldehyde;5-CHLORO-1H-INDOLE-2-CARBOXALDEHYDE;SCHEMBL286735;DTXSID80480301;ZFWBIHAXMSSQOO-UHFFFAOYSA-N;AKOS003658198;CS-W006795;MB04243;AM804014;AS-39514;SY062960;BB 0220029;FT-0677452;5-Chloro-1H-indole-2-carbaldehyde, AldrichCPR;EN300-268711;J-517249;Z1198170786

Suppliers and Price of 5-Chloro-1H-indole-2-carbaldehyde

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-Chloro-1H-indole-2-carbaldehyde
10mg
$ 45.00

TRC
5-Chloro-1H-indole-2-carbaldehyde
100mg
$ 130.00

Matrix Scientific
5-Chloro-1H-indole-2-carbaldehyde
500mg
$ 184.00

Frontier Specialty Chemicals
5-Chloro-1H-indole-2-carbaldehyde 97%
1g
$ 335.00

Crysdot
5-Chloro-1H-indole-2-carbaldehyde 97%
1g
$ 228.00

Chemenu
5-chloro-1H-indole-2-carbaldehyde 95%+
1g
$ 215.00

Apolloscientific
5-Chloro-1H-indole-2-carbaldehyde 95%
250mg
$ 215.00

Apolloscientific
5-Chloro-1H-indole-2-carbaldehyde 95%
1g
$ 535.00

American Custom Chemicals Corporation
5-CHLORO-1H-INDOLE-2-CARBALDEHYDE 95.00%
5MG
$ 503.73

Ambeed
5-Chloro-1H-indole-2-carbaldehyde 97%
1g
$ 214.00

Total 24 raw suppliers

Chemical Property of 5-Chloro-1H-indole-2-carbaldehyde

Chemical Property:

Melting Point:204-206 °C
Boiling Point:373.394 °C at 760 mmHg
PKA:14.14±0.30(Predicted)
Flash Point:179.623 °C
PSA：32.86000
Density:1.431 g/cm³
LogP:2.63380
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:179.0137915
Heavy Atom Count:12
Complexity:185

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-1H-indole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36-20/21/22
Safety Statements: 26-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1Cl)C=C(N2)C=O

Technology Process of 5-Chloro-1H-indole-2-carbaldehyde

There total 7 articles about 5-Chloro-1H-indole-2-carbaldehyde 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: 87.0%

: 53590-47-9
5-chloro-1H-2-hydroxymethylindole

: 53590-49-1
5-chloro-1H-indole-2-carbaldehyde

Guidance literature:: With manganese(IV) oxide;
DOI:10.1055/s-2007-982559

Reference yield:

: 53590-58-2
(6-chloro-1H-indol-2-yl)methanol

: 53590-49-1
5-chloro-1H-indole-2-carbaldehyde

Guidance literature:: With pyridinium chlorochromate; In dichloromethane; at 10 - 20 ℃; for 2h;
DOI:10.1055/s-0034-1380506

Reference yield:

: 4792-67-0
5-chloro-indole-2-carboxylic acid ethyl ester

: 53590-49-1
5-chloro-1H-indole-2-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / 0 °C / Inert atmosphere

2: acetic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / acetonitrile / 20 °C

With lithium aluminium tetrahydride; acetic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; acetonitrile;
DOI:10.1021/acs.joc.5b01223