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About This Item
Linear Formula:
ClC6H4CO2CH3
CAS Number:
Molecular Weight:
170.59
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
Related Categories
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_germany
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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