Benzoyl chloride

CAS No. 98-88-4

Formula: C7H5ClO
Basic Info

Benzoyl chloride, also known as benzenecarbonyl chloride, is an organochlorine compound with the formula C6H5COCl. It is a colourless, fuming liquid with an irritating odour. It is mainly useful for the production of peroxides but is generally useful in other areas such as in the preparation of dyes, perfumes, pharmaceuticals, and resins.

Formula
C7H5ClO
Molecular Weight
140.567
Exact Mass
140.003
LogP
2.0656
PSA
17.07
Synonyms

α-Chlorobenzaldehyde

benzoic chloride

Benzoylchloride

Bz chloride

benzoic acid chloride

Benzenecarbonyl chloride

phenylcarbonyl chloride

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Properties
Appearance & Physical State
Colourless liquid
Density
1.2188
Boiling Point
198ºC
Melting Point
-1ºC
Freezing Point
-1℃
Flash Point
68ºC
Refractive Index
1.552-1.554
Water Solubility
reacts
Stability
Stable. Combustible. Incompatible with strong oxidizing agents, water, alcohols, strong bases. Reacts violently with DMSO and vigorously with alkalies.
Storage Condition
Store at 0-5ºC
Vapor Density
4.88 (vs air)
Vapor Pressure
1 mm Hg ( 32 °C)
Safety Info
RTECS
DM6600000
Safety Statements
S26-S36/37/39-S45
WGK Germany
1
Risk Statements
R34
HS Code
2916320000
RIDADR
UN 1736
Hazard Class
8
Packing Group
II
Caution Statement
P280; P305 + P351 + P338; P310
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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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(℃)
SE-30
Retention index
1080.
Temperature Control
150.
Method
isothermal
Comments
Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Reference
Tiess, D.Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe1984, 33, 6-9.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1036.5
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 3. K/min; T<sub>start</sub>: 40. C; T<sub>end</sub>: 325. C
Reference
Sun, G.Stremple, P.Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1038.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 8. K/min; T<sub>end</sub>: 200. C
Reference
Gandhe, B.R.Malhotra, R.C.Gutch, P.K.Gas chromatographic retention indices of tear gases on capillary columnsJ. Chromatogr.1989, 479, 165-169.
Van Den Dool and Kratz RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
VF-5MS
Retention index
1095.1
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C
Reference
Tret'yakov, K.V.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2007.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Polydimethyl siloxanes
Retention index
1046.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Zenkevich, I.G.Encyclopedia of Chromatography. Derivatization of Amines, Amino Acids, Amides and Imides for GC AnalysisMarcel Dekker, Inc, New York - Basel, 2001, 224.

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