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Merck
CN

124974

2-Chlorobenzaldehyde

99%

Synonym(s):

o-Chlorobenzaldehyde

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About This Item

Linear Formula:
ClC6H4CHO
CAS Number:
89-98-5
Molecular Weight:
140.57
NACRES:
NA.22
PubChem Substance ID:
24847637
eCl@ss:
39050404
UNSPSC Code:
12352100
EC Number:
201-956-3
MDL number:
MFCD00003304
Beilstein/REAXYS Number:
385877
Assay:
99%

Key Documents

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InChI key

FPYUJUBAXZAQNL-UHFFFAOYSA-N

InChI

1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H

SMILES string

[H]C(=O)c1ccccc1Cl

vapor density

4.84 (vs air)

vapor pressure

1.27 mmHg ( 50 °C)

assay

99%

autoignition temp.

746 °F

refractive index

n20/D 1.566 (lit.)

bp

209-215 °C (lit.)

mp

9-11 °C (lit.)

density

1.248 g/mL at 25 °C (lit.)

Quality Level

100

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General description

2-Chlorobenzaldehyde undergoes alkynylation with phenylacetylene in the presence of catalytic ligands and dimethylzinc at 0°C to form binaphthyl-derived amino alcohols.

Application

2-Chlorobenzaldehyde has been used in generation of small focused library of diversely functionalized dihydropyrimidine derivatives via one-pot three-component Biginelli cyclocondensation of β-ketoesters, aldehydes and thioureas.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

hcodes

H314,H317

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 2

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB3614
STBK9699
STBJ7710
STBG2589V
STBF9186V

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Enantioselective alkynylation of aromatic aldehydes catalyzed by new chiral amino alcohol-based ligands.
Lu G, et al.
Tetrahedron Asymmetry, 12(15), 2147-2152 (2001)
M Rogojerov et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 61(7), 1661-1670 (2005-04-12)
Vibrational analysis of the two conformers of furfural and 2-chlorobenzaldehyde has been carried out on the basis of their IR and Raman spectra measured in isotropic and anisotropic (nematic liquid crystalline) solvent. The average orientation of the individual conformers in
E C Rietveld et al.
European journal of drug metabolism and pharmacokinetics, 13(4), 231-240 (1988-10-01)
2-Chlorobenzaldehyde might be produced when a moist skin is exposed to the riot control agent CS. CS-hydrolysis to 2-chlorobenzaldehyde and malononitrile occurs both in vitro and in vivo. No quantitative data have thus far been reported with respect to the
E Schmid et al.
Mutagenesis, 6(4), 303-305 (1991-07-01)
The aneuploidy inducing capacity of 2-chlorobenzylidene malonitrile (CS), a chemical used as a riot control agent, and its hydrolysis products o-chlorobenzaldehyde and malonitrile was studied at various exposure conditions in V79 Chinese hamster cells. Chromosomes were counted in metaphase preparations
Th Gomti Devi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 62(4-5), 972-979 (2005-06-14)
The analysis of Raman anisotropy shift as a function of solvent concentration shows the weakening of pair interaction of the molecules due to the influence of solvent-induced perturbations. The present study deals with the effect of dielectric constant of the
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