3-Chlorobenzaldehyde

CAS No. 587-04-2

Formula: C7H5ClO
Basic Info

3-Chlorobenzaldehyde is a chemical reagent used in the synthesis of y-butyrolactones. Also used in the synthesis of chalcones and flavonoids with inhibitory activity towards Tuberculosis.

Formula
C7H5ClO
Molecular Weight
140.567
Exact Mass
140.003
LogP
2.1525
PSA
17.07
Synonyms

Benzaldehyde, 3-chloro-

Benzaldehyde,3-chloro

m-chlorobenzaldehyde

5-chlorobenzaldehyde

Benzaldehyde,m-chloro

mcad

3-chlorophenylaldehyde

3-chloro benzaldehyde

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Properties
Appearance & Physical State
clear very light yellow liquid
Density
1.241
Boiling Point
213-215ºC
Melting Point
17-18ºC
Flash Point
88ºC
Refractive Index
1.563-1.565
Water Solubility
insoluble
Stability
Stable under normal temperatures and pressures.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
Safety Statements
S26-S37/39
WGK Germany
2
Risk Statements
R36/37/38
HS Code
29130000
RIDADR
UN 2810
Hazard Class
6.1
Packing Group
I; II; III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
OV-101
Retention index
1108.4
Temperature Control
140.
Method
isothermal
Comments
N2, Chromosorb G HP; Column length: 5. m
Reference
Righezza, M.Hassani, A.Meklati, B.Y.Chrétien, J.R.Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatographyJ. Chromatogr. A1996, 723, 1, 77-91.
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
OV-101
Retention index
1118.9
Temperature Control
160.
Method
isothermal
Comments
N2, Chromosorb G HP; Column length: 5. m
Reference
Hassani, A.Meklati, B.Y.Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phasesChromatographia1992, 33, 5/6, 267-271.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1102.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Ebrahimi, P.Hadjmohammadi, M.R.Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANNQSAR Comb. Sci.2006, 25, 10, 836-845.

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