2(3H)-Benzoxazolone, 6-nitro-

Base Information Edit

Chemical Name:2(3H)-Benzoxazolone, 6-nitro-
CAS No.:4694-91-1
Deprecated CAS:32850-87-6
Molecular Formula:C7H4N2O4
Molecular Weight:180.12
Hs Code.:29349990
European Community (EC) Number:225-157-4
DSSTox Substance ID:DTXSID1063560
Nikkaji Number:J36.851B
Wikidata:Q72494431
Mol file:4694-91-1.mol

Synonyms:4694-91-1;6-Nitrobenzo[d]oxazol-2(3H)-one;2(3H)-Benzoxazolone, 6-nitro-;6-Nitrobenzoxazole-2(3H)-one;6-NITRO BENZOXAZOLINONE;6-nitro-3H-1,3-benzoxazol-2-one;6-Nitro-2-benzoxazolinone;6-nitrobenzoxazolinone;6-nitro-1,3-benzoxazol-2(3H)-one;6-Nitrobenzoxazol-2(3H)-one;6-nitrobenzo[d]oxazol-2-ol;6-nitro-2(3h)-benzoxazolone;6-Nitrobenzoxazolone;6-NITRO-1,3-BENZOXAZOL-2-OL;C7H4N2O4;EINECS 225-157-4;MFCD00463755;6-Nitro-3H-benzooxazol-2-one;6-Nitro-2-benzoxazolone;6-nitro-2,3-dihydro-1,3-benzoxazol-2-one;6-Nitrobenzoxazolin-2-one;Cambridge id 5108192;Oprea1_004325;Oprea1_341701;2-Benzoxazolinone, 6-nitro-;SCHEMBL217228;6-Nitro-2(3H)-benzoxazalone;DTXSID1063560;2-Hydroxy-6-nitrobenzo[d]oxazole;AMY20723;AC8817;STK327649;AKOS000511157;AKOS006237854;6-Nitrobenzoxazole-2(3H)-one, 97%;AC-14987;AS-11630;BP-20274;SY066100;CS-0112393;FT-0656460;EN300-53726;A827119;W-109989;Z802845554

Suppliers and Price of 2(3H)-Benzoxazolone, 6-nitro-

Supply Marketing:Edit

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
6-Nitrobenzoxazole-2(3H)-one
2.5g
$ 75.00

SynQuest Laboratories
6-Nitro-3H-1,3-benzoxazol-2-one
100 g
$ 755.00

SynQuest Laboratories
6-Nitro-3H-1,3-benzoxazol-2-one
25 g
$ 345.00

SynQuest Laboratories
6-Nitro-3H-1,3-benzoxazol-2-one
5 g
$ 115.00

SynQuest Laboratories
6-Nitro-3H-1,3-benzoxazol-2-one
1 g
$ 45.00

Sigma-Aldrich
6-Nitrobenzoxazole-2(3H)-one 97%
1g
$ 27.30

Matrix Scientific
6-Nitro-1,3-benzoxazol-2(3H)-one 97%
1g
$ 66.00

Matrix Scientific
6-Nitro-1,3-benzoxazol-2(3H)-one 97%
10g
$ 420.00

Heterocyclics
6-Nitrobenzo[d]oxazol-2(3H)-one 97%
25g
$ 181.00

Heterocyclics
6-Nitrobenzo[d]oxazol-2(3H)-one 97%
100g
$ 470.00

Total 38 raw suppliers

Chemical Property of 2(3H)-Benzoxazolone, 6-nitro- Edit

Chemical Property:

Melting Point:248-252 °C(lit.)
Refractive Index:1.635
Boiling Point:°Cat760mmHg
PKA:7.89±0.70(Predicted)
Flash Point:°C
PSA：92.08000
Density:1.58 g/cm³
LogP:1.96480
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:180.01710661
Heavy Atom Count:13
Complexity:249

Purity/Quality:

99% ^*data from raw suppliers

6-Nitrobenzoxazole-2(3H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2

Technology Process of 2(3H)-Benzoxazolone, 6-nitro-

There total 18 articles about 2(3H)-Benzoxazolone, 6-nitro- 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: 99.0%

: 530-62-1
1,1'-carbonyldiimidazole

: 121-88-0
5-Nitro-2-aminophenol

: 4694-91-1
6-nitro-3H-benzooxazol-2-one

Guidance literature:: 1,1'-carbonyldiimidazole; 5-Nitro-2-aminophenol; In tetrahydrofuran; at 0 - 20 ℃; for 15h;

With hydrogenchloride; In water; at 0 - 20 ℃; for 3h;