4-(Hydroxymethyl)-3-nitrobenzoic acid

Base Information

Chemical Name:4-(Hydroxymethyl)-3-nitrobenzoic acid
CAS No.:82379-38-2
Molecular Formula:C8H7NO5
Molecular Weight:197.147
Hs Code.:2918199090
DSSTox Substance ID:DTXSID30363554
Nikkaji Number:J3.307.541C
Wikidata:Q82147288
ChEMBL ID:CHEMBL1834880
Mol file:82379-38-2.mol

Synonyms:4-(hydroxymethyl)-3-nitrobenzoic acid;82379-38-2;4-Hydroxymethyl-3-nitrobenzoic acid;4-HYDROXYMETHYL-3-NITRO-BENZOIC ACID;Benzoic acid, 4-(hydroxymethyl)-3-nitro-;SCHEMBL1483517;CHEMBL1834880;DTXSID30363554;MFCD01076314;4-(hydroxymethyl)-3-nitrobenzoicacid;AKOS006346216;CS-W022017;DS-7073;4-HYDROXYMETHYL-3-NITROBENZOICACID;AM20041205;FT-0701419;A840314

Suppliers and Price of 4-(Hydroxymethyl)-3-nitrobenzoic acid

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

Labseeker
methyl4-(hydroxymethyl)-3-nitrobenzoate 95
25g
$ 1450.00

Labseeker
methyl4-(hydroxymethyl)-3-nitrobenzoate 95
10g
$ 1092.00

JR MediChem
4-(hydroxymethyl)-3-nitrobenzoicacid 96%
5g
$ 580.00

Crysdot
4-(Hydroxymethyl)-3-nitrobenzoicacid 97%
5g
$ 575.00

Crysdot
4-(Hydroxymethyl)-3-nitrobenzoicacid 97%
1g
$ 225.00

Chemenu
4-(hydroxymethyl)-3-nitrobenzoicacid 95%+
1g
$ 210.00

Chemenu
4-(hydroxymethyl)-3-nitrobenzoicacid 95%+
5g
$ 611.00

American Custom Chemicals Corporation
4-HYDROXYMETHYL-3-NITROBENZOIC ACID 95.00%
1G
$ 931.39

Ambeed
4-(Hydroxymethyl)-3-nitrobenzoicacid 97%
1g
$ 204.00

Ambeed
4-(Hydroxymethyl)-3-nitrobenzoicacid 97%
250mg
$ 86.00

Total 15 raw suppliers

Chemical Property of 4-(Hydroxymethyl)-3-nitrobenzoic acid

Chemical Property:

Vapor Pressure:1.47E-07mmHg at 25°C
Refractive Index:1.643
Boiling Point:412.9 °C at 760 mmHg
PKA:3.46±0.10(Predicted)
Flash Point:186.8 °C
PSA：103.35000
Density:1.544 g/cm³
LogP:1.30850
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:197.03242232
Heavy Atom Count:14
Complexity:236

Purity/Quality:

97% ^*data from raw suppliers

methyl4-(hydroxymethyl)-3-nitrobenzoate 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CO

Technology Process of 4-(Hydroxymethyl)-3-nitrobenzoic acid

There total 4 articles about 4-(Hydroxymethyl)-3-nitrobenzoic acid 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%

: 55715-03-2
4-bromomethyl-3-nitrobenzoic acid

: 82379-38-2
4-(hydroxymethyl)-3-nitrobenzoic acid

Guidance literature:: With sodium carbonate; In acetone; for 5h; Heating;
DOI:10.1016/S0968-0896(02)00311-5

Reference yield:

: (2-(3-(3-((3-(3,5-bis(trifluoromethyl)phenyl)thioureido)methyl)benzyl)thioureido)ethyl)(4-carboxy-2-nitrobenzyl)(methyl)sulfonium bromide

: 1-(3,5-bis(trifluoromethyl)phenyl)-3-(3-((3-(2-(methylthio)ethyl)thioureido)methyl)benzyl)thiourea

: 82379-38-2
4-(hydroxymethyl)-3-nitrobenzoic acid

Guidance literature:: With Fenton's reagent; In aq. phosphate buffer; at 37 ℃; pH=7.4;
DOI:10.1039/d0ob00938e

Reference yield:

: 6232-88-8
4-bromomethylbenzoic Acid

: 82379-38-2
4-(hydroxymethyl)-3-nitrobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / HNO₃, H₂O / 3 h / -10 °C

2: 91 percent / Na₂CO₃, H₂O / acetone / 12 h / Heating

With water; nitric acid; sodium carbonate; In acetone;
DOI:10.1055/s-1998-1900