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151408

Sigma-Aldrich

4-Methyl-3-nitrobenzoic acid

99%

Synonym(s):

3-Nitro-p-toluic acid

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About This Item

Linear Formula:
CH3C6H3(NO2)CO2H
CAS Number:
96-98-0
Molecular Weight:
181.15
Beilstein:
1874411
EC Number:
202-549-3
MDL number:
MFCD00007174
UNSPSC Code:
12352100
PubChem Substance ID:
24849129
NACRES:
NA.22

Assay

99%

form

solid

mp

187-190 °C (lit.)

functional group

carboxylic acid
nitro

SMILES string

Cc1ccc(cc1[N+]([O-])=O)C(O)=O

InChI

1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChI key

BBEWSMNRCUXQRF-UHFFFAOYSA-N

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Application

4-Methyl-3-nitrobenzoic acid was used in the synthesis of one-dimensional (1D) lanthanide coordination complexes[1].

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

151408-500G:
151408-25G:
151408-BULK:
151408-100G:
151408-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD1931
MKCC2495
MKBP9824V
MKBK2973V
MKBH6416V

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Jumei Tian et al.
Dalton transactions (Cambridge, England : 2003), 42(23), 8504-8511 (2013-05-01)
Three novel one-dimensional (1D) lanthanide coordination complexes involving the 4-methyl-3-nitrobenzoic acid (HL) ligand, with the general formulae [Gd(L)3(H2O)(CH3OH)] (1), [Gd(L)3(H2O)2]·(4,4'-bpy)·CH3OH (2), [Dy(L)3(H2O)(CH3OH)] (3), have been synthesized by solvothermal reactions. These complexes have been structurally characterized by single-crystal X-ray diffraction, IR

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