2-Chlorobenzaldehyde

CAS No. 89-98-5

Formula: C7H5ClO
Basic Info

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

2-CHLOROBENZALDEHYDE FOR PHARMA SYNTHESIS

o-Chlorobenzaldehyde

2-chloro-benzaldehyde

o-chloro-benzaldehyd

OCAD

O CHLOROBENZALDEHYDE

o-Chlor-benzaldehyd

o -Chlorobenzaldehyde

2-CHLOROBENZALDEHYDE (1 LT )

O-CHLOROBENZALDEHYDE( OCBA)

ORTHOCHLOROBENZALDEHYDE

2-Clorobenzaldeide

USAF m-7

ortho-chloro benzaldehyde

o-chloro-benzaldehyde

2-Chlorbenzaldehyd

Benzaldehyde, 2-chloro-

o-Chloroformylbenzene

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Properties
Appearance & Physical State
colorless to pale yellow liquid
Density
1.248
Boiling Point
209-215ºC
Melting Point
10-11.5ºC
Flash Point
87ºC
Refractive Index
1.565-1.567
Water Solubility
0.1-0.5 g/100 mL at 24 ºC
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, iron, strong reducing agents. Moisture and light-sensitive.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Do not ex
Vapor Density
4.84 (vs air)
Vapor Pressure
1.27 mm Hg ( 50 °C)
Safety Info
RTECS
CU5075000
Safety Statements
S26-S45
WGK Germany
1
Risk Statements
R34
HS Code
2913000090
RIDADR
UN 3265
Hazard Class
8
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : parameter in CDCl3
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,100M,liquid
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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
1112.7
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
1122.4
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.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SE-54
Retention index
1131.
Temperature Control
Method
temperature ramp
Comments
25. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min
Reference
Kostiainen, O.Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons ConventionEncyclopedia of Analytical ChemistryMeyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
ZB-5
Retention index
1106.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 10. K/min, 200. C @ 2. min; T<sub>start</sub>: 40. C
Reference
Kluchinsky, T.A., Jr.Sheely, M.V.Savage, P.B.Smith, P.A.Formation of 2-chlorobenzylidenemalononitrile (CS riot control agent) thermal degradation products at elevated temperaturesJ. Chromatogr. A2002, 952, 1-2, 205-213.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
1105.
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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