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Sigma-Aldrich

Methyl 4-chloro-2-nitrobenzoate

99%

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About This Item

Linear Formula:
ClC6H3(NO2)CO2CH3
CAS Number:
42087-80-9
Molecular Weight:
215.59
EC Number:
255-654-1
MDL number:
MFCD00007213
UNSPSC Code:
12352100
PubChem Substance ID:
24853012
NACRES:
NA.22

Assay

99%

mp

43-45 °C (lit.)

SMILES string

COC(=O)c1ccc(Cl)cc1[N+]([O-])=O

InChI

1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3

InChI key

JWOSXVMUUBWGOL-UHFFFAOYSA-N

General description

Methyl 4-chloro-2-nitrobenzoate undergoes fluorodenitration in the presence of tetramethylammonium fluoride to yield methyl 4-chloro-2- fluorobenzoate.

Application

Methyl 4-chloro-2-nitrobenzoate was used in the synthesis of methyl 3-hydroxybenzo[b]thiophene-2-carboxylate esters.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
S37440V
02354
S37440
18928HG
1010CM

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Synthesis of Methyl 3-Hydroxybenzo [b] thiophene-2-carboxylate esters by nitro displacement.
Beck JR.
The Journal of Organic Chemistry, 38(23), 4086-4087 (1973)
Fluorodenitrations using tetramethylammonium fluoride.
Boechat N and Clark JH.
Journal of the Chemical Society. Chemical Communications, 11, 921-922 (1993)

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