Methyl 3-chlorobenzoate

Name: Methyl 3-chlorobenzoate
Brand: ALDRICH

98%

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About This Item

Linear Formula:

ClC₆H₄CO₂CH₃

CAS Number:

2905-65-9

Molecular Weight:

170.59

NACRES:

NA.22

PubChem Substance ID:

24854050

UNSPSC Code:

12352100

EC Number:

220-814-1

MDL number:

MFCD00000592

Key Documents

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Product Name

Methyl 3-chlorobenzoate, 98%

InChI key

XRDRKVPNHIWTBX-UHFFFAOYSA-N

InChI

1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

SMILES string

COC(=O)c1cccc(Cl)c1

assay

98%

form

solid

refractive index

n20/D 1.531 (lit.)

bp

99-101 °C/12 mmHg (lit.)

mp

21 °C (lit.)

density

1.227 g/mL at 25 °C (lit.)

functional group

chloro
ester

Quality Level

100

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Chemical Building Blocks

Organic Building Blocks

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1 of 3

This Item	238317	384267
Sigma-Aldrich 234621 Methyl 3-chlorobenzoate	Sigma-Aldrich 238317 Ethyl methyl sulfide	Sigma-Aldrich 384267 Methyl 3-butenoate
assay 98%	assay 96%	assay 95%
Quality Level 100	Quality Level 100	Quality Level 100
density 1.227 g/mL at 25 °C (lit.)	density 0.842 g/mL at 25 °C (lit.)	density 0.939 g/mL at 25 °C (lit.)
bp 99-101 °C/12 mmHg (lit.)	bp 66-67 °C (lit.)	bp 112 °C (lit.)
form solid	form liquid	form liquid
mp 21 °C (lit.)	mp −106 °C (lit.)	mp -

General description

The (1+1) Resonance Enhanced Multiphoton Ionisation (REMPI) spectrum and the fluorescence excitation spectrum of methyl 3-chlorobenzoate has been measured in the supersonic free jet[1]. Reaction of methyl 3-chlorobenzoate with lithium diisobutyl-t-butoxyaluminum hydride (LDBBA) has been investigated[2].

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

219.2 °F - closed cup

flash_point_c

104.00 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

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Laser jet spectra of methyl 3-chlorobenzoate.

Hirano A, et al.

Journal of Molecular Structure, 701(1), 9-11 (2004)

Lithium diisobutylpiperidinohydroaluminate (LDBPA) as a mild and efficient reducing agent for the conversion of ester to aldehyde.

Ahn JH, et al.

Bull. Korean Chem. Soc., 26, 377-378 (2005)

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