2-Chloro-2-nitropropane

Base Information

Chemical Name:2-Chloro-2-nitropropane
CAS No.:594-71-8
Molecular Formula:C3H6 Cl N O2
Molecular Weight:123.539
Hs Code.:
European Community (EC) Number:209-853-5
NSC Number:3642
UN Number:1993
UNII:47BO4I4HL2
DSSTox Substance ID:DTXSID7024798
Nikkaji Number:J2.708A
Wikidata:Q27259041
ChEMBL ID:CHEMBL442666
Mol file:594-71-8.mol

Synonyms:2-CHLORO-2-NITROPROPANE;594-71-8;Propane, 2-chloro-2-nitro-;CCRIS 5998;HSDB 1407;NSC 3642;EINECS 209-853-5;2-chloro-2-nitro-propane;UNII-47BO4I4HL2;AI3-15635;47BO4I4HL2;DTXSID7024798;NSC-3642;NSC3642;WLN: WNXG1&1;MLS002454363;CHEMBL442666;DTXCID704798;SCHEMBL6703204;HMS3039H15;CHLORO-2-NITROPROPANE, 2-;Tox21_200336;AKOS006272595;LS-1421;2-CHLORO-2-NITROPROPANE [HSDB];NCGC00090815-01;NCGC00090815-02;NCGC00257890-01;CAS-594-71-8;SMR001371987;FT-0691607;Q27259041

Suppliers and Price of 2-Chloro-2-nitropropane

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

American Custom Chemicals Corporation
2-CHLORO-2-NITROPROPANE 95.00%
5MG
$ 499.95

AK Scientific
2-Chloro-2-nitropropane
250mg
$ 124.00

Total 10 raw suppliers

Chemical Property of 2-Chloro-2-nitropropane

Chemical Property:

Appearance/Colour:colourless to slightly yellow liquid
Vapor Pressure:6.78mmHg at 25°C
Melting Point:-21.5°C
Refractive Index:1.4378 (estimate)
Boiling Point:138.3°Cat760mmHg
Flash Point:37.4°C
PSA：45.82000
Density:1.208g/cm³
LogP:1.76120
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:123.0087061
Heavy Atom Count:7
Complexity:85.4
Transport DOT Label:Flammable Liquid

Purity/Quality:

>98% ^*data from raw suppliers

2-CHLORO-2-NITROPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitros, Aliphatic
Canonical SMILES:CC(C)([N+](=O)[O-])Cl

Technology Process of 2-Chloro-2-nitropropane

There total 12 articles about 2-Chloro-2-nitropropane 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: 70.0%

: 56-23-5
tetrachloromethane

: 79-46-9
2-nitropropane

: 594-71-8
2-chloro-2-nitro-propane

: 931-93-1
1-chloro-1-nitrocyclopentane

Guidance literature:: With tetrabutylammomium bromide; potassium carbonate; at 35 - 40 ℃; for 3h;
DOI:10.1021/jo00220a010

Reference yield: 31.0%

: 127-06-0
acetone oxime

: 594-71-8
2-chloro-2-nitro-propane

Guidance literature:: With hydrogenchloride; dihydrogen peroxide; In water; at 20 ℃; for 1h;

Reference yield:

: 79-46-9
2-nitropropane

: 83846-30-4
4-(2-Chloro-2-methyl-propionyl)-benzonitrile

: 594-71-8
2-chloro-2-nitro-propane

: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

: 72511-02-5
α-(2-nitro-2-propyl)-p-nitrorisobutyrophenone

: 83846-35-9
α-hydroxy-p-nitroisobutyrophenone

: 83846-32-6
2,2-dimethyl-3-(p-nitrophenyl)-3-(2-nitro-2-propyl)oxirane

: 611-70-1
phenyl isopropyl ketone

Guidance literature:: With potassium tert-butylate; In dimethyl sulfoxide; for 1.33333h; Product distribution; Irradiation; effects of base ( tert-BuOK, tert-BuOLi, DNB), 18-Crown-6 and reraction time;
DOI:10.1021/ja00294a050