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234621

Sigma-Aldrich

Methyl 3-chlorobenzoate

98%

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About This Item

Linear Formula:
ClC6H4CO2CH3
CAS Number:
2905-65-9
Molecular Weight:
170.59
EC Number:
220-814-1
MDL number:
MFCD00000592
UNSPSC Code:
12352100
PubChem Substance ID:
24854050
NACRES:
NA.22

Quality Level

100

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

SMILES string

COC(=O)c1cccc(Cl)c1

InChI

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

InChI key

XRDRKVPNHIWTBX-UHFFFAOYSA-N

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. Reaction of methyl 3-chlorobenzoate with lithium diisobutyl-t-butoxyaluminum hydride (LDBBA) has been investigated.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

219.2 °F - closed cup

Flash Point(C)

104.00 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCB1768V
MKBR0914V
MKBM0315V
MKBF4609V
MKBH4490V

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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)
Laser jet spectra of methyl 3-chlorobenzoate.
Hirano A, et al.
Journal of Molecular Structure, 701(1), 9-11 (2004)

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