6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol

Base Information

Chemical Name:6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol
CAS No.:118803-40-0
Molecular Formula:C7H6 B N O4
Molecular Weight:178.94
Hs Code.:2934999090
European Community (EC) Number:692-708-7
DSSTox Substance ID:DTXSID90396782
Wikidata:Q82197681
Pharos Ligand ID:7MV1NMKZZNFU
ChEMBL ID:CHEMBL4175131
Mol file:118803-40-0.mol

Synonyms:118803-40-0;6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol;(2-HYDROXYMETHYL-5-NITRO)BENZENEBORONIC ACID DEHYDRATE;1-hydroxy-6-nitro-3H-2,1-benzoxaborole;1-HYDROXY-6-NITRO-2,1-BENZOXABOROLANE;2-HYDROXYMETHYL-5-NITROPHENYLBORONIC ACID, DEHYDRATED;CHEMBL4175131;1,3-Dihydro-1-hydroxy-6-nitro-2,1-benzoxaborole;2-Hydroxymethyl-5-nitrophenylboronic acid dehydrate;SCHEMBL594681;DTXSID90396782;GFFKBQCIGADRSN-UHFFFAOYSA-N;BCP29824;BDBM50279657;MFCD04115657;N-ACETYL-5-AMINOSALICYLICACID;AKOS006228029;6-Nitro-2,1-benzoxaborol-1(3H)-ol;AB20343;PS-10348;CS-0100860;FT-0642907;EN300-172402;A804105;2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate;6-NITRO-1,3-DIHYDRO-2,1-BENZOXABOROL-1-OL;Z1201622900;(2-HYDROXYMETHYL-5-NITRO)PHENYLBORONIC ACID, DEHYDRATE

Suppliers and Price of 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol

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
2-Hydroxymethyl-5-nitrophenylboronicAcid,dehydrated
100mg
$ 60.00

SynQuest Laboratories
2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate
250 mg
$ 32.00

Matrix Scientific
6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol 96%
250mg
$ 213.00

Matrix Scientific
6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol 96%
1g
$ 471.00

Crysdot
6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol 96%
1g
$ 127.00

Crysdot
6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol 96%
10g
$ 549.00

Crysdot
6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol 96%
5g
$ 369.00

Apolloscientific
2-(Hydroxymethyl)-5-nitrobenzeneboronicaciddehydrate 97%
1g
$ 246.00

Apolloscientific
2-(Hydroxymethyl)-5-nitrobenzeneboronic acid dehydrate
250mg
$ 27.00

Apolloscientific
2-(Hydroxymethyl)-5-nitrobenzeneboronicaciddehydrate 97%
5g
$ 696.00

Total 28 raw suppliers

Chemical Property of 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol

Chemical Property:

Boiling Point:330.6±52.0 °C(Predicted)
PKA:5.90±0.20(Predicted)
PSA：75.28000
Density:1.43±0.1 g/cm3(Predicted)
LogP:0.33570
Storage Temp.:2-8°C
Solubility.:Acetonitrile (Slightly), DMSO (Slightly)
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:179.0389878
Heavy Atom Count:13
Complexity:219

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxymethyl-5-nitrophenylboronicAcid,dehydrated ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(C2=C(CO1)C=CC(=C2)[N+](=O)[O-])O
Uses 2-Hydroxymethyl-5-nitrophenylboronic Acid, dehydrated can be used as reactant/reagent for imprinted polymers as protecting groups for regioselective modification of polyfunctional substrates.

Technology Process of 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol

There total 8 articles about 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol 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: 89.0%

: 7697-37-2,78989-43-2
nitric acid

: 5735-41-1
3H-benzo[c][1,2]oxaborol-1-ol

: 118803-40-0
1-hydroxy-6-nitro-3H-2,1-benzoxaborole

Guidance literature:: at -40 - -30 ℃; for 3h;
DOI:10.3390/molecules23082038

Reference yield: 84.0%

: 5735-41-1
3H-benzo[c][1,2]oxaborol-1-ol

: 118803-40-0
1-hydroxy-6-nitro-3H-2,1-benzoxaborole

Guidance literature:: With nitric acid; at -45 ℃; for 0.5h;
DOI:10.1016/j.bioorg.2019.103059

Reference yield:

: 40138-16-7
2-formylbenzene boronic acid

: 118803-40-0
1-hydroxy-6-nitro-3H-2,1-benzoxaborole

Guidance literature:: Multi-step reaction with 2 steps

1: sodium tetrahydroborate / tetrahydrofuran; water / 3 h / 25 °C

2: nitric acid / 0.5 h / -40 °C

With sodium tetrahydroborate; nitric acid; In tetrahydrofuran; water;
DOI:10.1016/j.jorganchem.2015.06.021