1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde

Base Information

Chemical Name:1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde
CAS No.:864723-36-4
Molecular Formula:C₆H₇ClN₂O
Molecular Weight:158.587
Hs Code.:2933199090
European Community (EC) Number:841-399-9
DSSTox Substance ID:DTXSID50405703
Wikidata:Q82210391
Mol file:864723-36-4.mol

Synonyms:1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde;864723-36-4;1-(2-chloroethyl)pyrazole-4-carbaldehyde;SCHEMBL1436338;DTXSID50405703;1-(2-chloroethyl)-4-formylpyrazole;MFCD03727245;AKOS006239051;AT14262;BS-36934;CS-0257252;FT-0711546;EN300-66701;Z1065614346;1-(2-Chloroethyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR

Suppliers and Price of 1-(2-chloroethyl)-1H-pyrazole-4-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
1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde
500mg
$ 65.00

TRC
1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde
1g
$ 90.00

Sigma-Aldrich
1-(2-Chloroethyl)-1H-pyrazole-4-carbaldehyde AldrichCPR
1g
$ 83.50

ChemBridge Corporation
1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde 95%
10 g
$ 179.20

American Custom Chemicals Corporation
1-(2-CHLOROETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE 95.00%
5G
$ 1168.42

American Custom Chemicals Corporation
1-(2-CHLOROETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE 95.00%
2.5G
$ 983.88

American Custom Chemicals Corporation
1-(2-CHLOROETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE 95.00%
1G
$ 721.57

AK Scientific
1-(2-Chloroethyl)-1H-pyrazole-4-carbaldehyde
5g
$ 383.00

Total 9 raw suppliers

Chemical Property of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde

Chemical Property:

Vapor Pressure:0.00345mmHg at 25°C
Boiling Point:282°C at 760 mmHg
Flash Point:124.3°C
PSA：34.89000
Density:1.29g/cm³
LogP:0.93440
XLogP3:0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:158.0246905
Heavy Atom Count:10
Complexity:120

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 43
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=NN1CCCl)C=O

Technology Process of 1-(2-chloroethyl)-1H-pyrazole-4-carbaldehyde

There total 3 articles about 1-(2-chloroethyl)-1H-pyrazole-4-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: 8.0%

: 2-(1H-pyrazol-1-yl)ethyl acetate

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 864723-36-4
1-(2-chloroethyl)-4-formylpyrazole

: 2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate

Guidance literature:: With trichlorophosphate; at 90 - 100 ℃; for 1h;
DOI:10.1134/S1070363215050333

Reference yield:

: 6314-23-4
1-(2-hydroxyethyl)-pyrazole

: 864723-36-4
1-(2-chloroethyl)-4-formylpyrazole

: 2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate

Guidance literature:: Multi-step reaction with 2 steps

1: copper diacetate

2: trichlorophosphate / 1 h / 90 - 100 °C

With copper diacetate; trichlorophosphate; 2: |Vilsmeier-Haack Formylation;
DOI:10.1134/S1070363215050333