Product Name

  • Name

    Benzoyl chloride

  • EINECS 202-710-8
  • CAS No. 98-88-4
  • Article Data349
  • CAS DataBase
  • Density 1.213 g/cm3
  • Solubility reacts
  • Melting Point -1 ºC
  • Formula C7H5ClO
  • Boiling Point 197.2 ºC at 760 mmHg
  • Molecular Weight 140.569
  • Flash Point 70.7 ºC
  • Transport Information UN 1736 8/PG 2
  • Appearance Colorless liquid
  • Safety 26-45-36/37/39
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 98-88-4 (Benzoyl chloride)
  • Hazard Symbols CorrosiveC
  • Synonyms alpha-Chlorobenzaldehyde;Benzaldehyde, alpha-chloro-;Benzoyl chloride [UN1736] [Corrosive];Benzenecarbonyl chloride;4-09-00-00721 (Beilstein Handbook Reference);Benzoic acid, chloride;cyclohexanecarbonyl chloride;1,4-Dibromobutane;benzoyl chloride;alpha-chloroBenzaldehyde; benzenecarbonyl chloride;Benzoylchloride;
  • PSA 17.07000
  • LogP 2.06560

Synthetic route

acetophenone
98-86-2

acetophenone

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
Stage #1: acetophenone With pyridine; disulfur dichloride In chlorobenzene at 20℃; for 3h;
Stage #2: With sulfuryl dichloride In chlorobenzene at 20 - 132℃; for 17.5h;		87%
Stage #1: acetophenone With pyridine; sulfur monochloride In chlorobenzene at 75℃; for 2.5h;
Stage #2: In chlorobenzene at 137℃; for 19h;
With pyridine; disulfur dichloride at 70 - 137℃; for 21.5h; Reagent/catalyst; Concentration;82 %Spectr.
benzoic acid tert-butyl ester
774-65-2

benzoic acid tert-butyl ester

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With phosphorus trichloride In acetonitrile at 80℃; for 3h; Solvent; Time; Schlenk technique;96%
With thionyl chloride; water at 23℃; for 5h; Sealed tube;
benzaldehyde
100-52-7

benzaldehyde

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With trichloroisocyanuric acid In dichloromethane at 20℃; Inert atmosphere;100%
With iron(III) chloride; Benzotrichlorid In benzene at 60℃; Rate constant; Mechanism; Thermodynamic data; ΔH(activ.), ΔS(activ.), various temperature, various solvents, various concentration ratios;
With chlorine
Benzotrichlorid
98-07-7

Benzotrichlorid

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With FeCl389%
With lead(II) oxide
With zinc(II) oxide
benzoic acid
65-85-0

benzoic acid

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With 1,2,3-Benzotriazole; thionyl chloride In dichloromethane at 20℃; Substitution;100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2h; Reflux;100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 35℃; for 1h;100%
benzyl alcohol
100-51-6

benzyl alcohol

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With chlorine at 130 - 150℃; anschliessendes Erhitzen auf 190-200grad;
With thionyl chloride In chloroform
With trichloroisocyanuric acid In dichloromethane at 20℃; for 120h; Inert atmosphere;
With trichloroisocyanuric acid In dichloromethane at 20℃; Inert atmosphere;
With trichloroisocyanuric acid In dichloromethane at 20℃; Inert atmosphere;
benzoic acid methyl ester
93-58-3

benzoic acid methyl ester

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With phosphorus pentachloride at 160 - 180℃;
With chlorine
With thionyl chloride In chloroform; N,N-dimethyl-formamide Reflux;
Multi-step reaction with 2 steps
1: sodium hydroxide / methanol / 60 °C / pH 3 / Schlenk technique; Inert atmosphere
2: oxalyl dichloride / N,N-dimethyl-formamide; dichloromethane / 17 h / 0 - 20 °C / Schlenk technique; Inert atmosphere
View Scheme
acifluorfen
50594-66-6

acifluorfen

A

benzoyl chloride
98-88-4

benzoyl chloride

B

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride
67446-83-7

5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In toluene
With thionyl chloride In toluene
With thionyl chloride In toluene
2,2'-dithiobenzoic acid
119-80-2

2,2'-dithiobenzoic acid

Benzotrichlorid
98-07-7

Benzotrichlorid

A

2,2'-dithiodibenzoic acid dichloride
19602-82-5

2,2'-dithiodibenzoic acid dichloride

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With iron(III) chloride In toluene at 100℃; Inert atmosphere;A 16.4 g
B 12.9 g
...Expand
2,2'-dithiobenzoic acid
119-80-2

2,2'-dithiobenzoic acid

Benzotrichlorid
98-07-7

Benzotrichlorid

A

2-chlorosulfenylbenzoyl chloride
3950-02-5

2-chlorosulfenylbenzoyl chloride

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
Stage #1: 2,2'-dithiobenzoic acid; Benzotrichlorid With iron(III) chloride In chlorobenzene at 100℃; Inert atmosphere;
Stage #2: With chlorine at 60℃; for 1h; Inert atmosphere;		A 18.9 g
B 12.6 g
...Expand
iodobenzene
591-50-4

iodobenzene

carbon monoxide
201230-82-2

carbon monoxide

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With bis(tri-t-butylphosphine)palladium(0); benzyltriphenylphosphonium chloride In toluene at 110℃; under 38002.6 Torr; for 24h; Glovebox; Autoclave; Inert atmosphere;71%
oxalyl dichloride
79-37-8

oxalyl dichloride

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With benzoic acid In N-methyl-acetamide; dichloromethane; Propargylamine
With benzoic acid In N-methyl-acetamide; dichloromethane; Propargylamine
oxalyl dichloride
79-37-8

oxalyl dichloride

ethyl 2-chloro-6-methoxybenzoate
172217-12-8

ethyl 2-chloro-6-methoxybenzoate

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With sodium hydroxide; bromine; acetic acid In ethanol; dichloromethane; water
sodium hydrogencarbonate
144-55-8

sodium hydrogencarbonate

benzyl alcohol
100-51-6

benzyl alcohol

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In tetrahydrofuran
5-carbethoxythiophene-2-carboxylic acid
156910-49-5

5-carbethoxythiophene-2-carboxylic acid

A

5-carbethoxythiophene-2-carbonyl chloride
156910-44-0

5-carbethoxythiophene-2-carbonyl chloride

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With (COCl)2 In dichloromethane; N,N-dimethyl-formamide
Benzotrichlorid
98-07-7

Benzotrichlorid

1,2-dichloro-ethane
107-06-2

1,2-dichloro-ethane

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With iron(III) chloride In water
p-Tolylisocyanate
622-58-2

p-Tolylisocyanate

A

1-isocyanato-2-chlorosulfonyl-4-methyl benzene

1-isocyanato-2-chlorosulfonyl-4-methyl benzene

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With sulfur trioxide In Benzotrichlorid; 1,2-dichloro-ethane
1-chloro-4-methyl-2-nitro-benzene
89-60-1

1-chloro-4-methyl-2-nitro-benzene

A

4-methyl-2-nitrobenzoic acid
27329-27-7

4-methyl-2-nitrobenzoic acid

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
CuCN In aq H2 SO4; benzonitrile; N,N-dimethyl-formamide
2-(2-phthalimidoethoxy)-acetic acid
69676-65-9

2-(2-phthalimidoethoxy)-acetic acid

A

2-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)acetyl chloride

2-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)acetyl chloride

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With iron(III) chloride; Benzotrichlorid In toluene Temperature; Solvent; Reflux;
iodobenzene
591-50-4

iodobenzene

isopentanoyl chloride
108-12-3

isopentanoyl chloride

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 100℃; for 16h; Sealed tube; Inert atmosphere;92 %Chromat.
iodobenzene
591-50-4

iodobenzene

Hexanoyl chloride
142-61-0

Hexanoyl chloride

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 100℃; for 16h; Sealed tube; Inert atmosphere;89 %Chromat.
iodobenzene
591-50-4

iodobenzene

n-octanoic acid chloride
111-64-8

n-octanoic acid chloride

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 100℃; for 16h; Sealed tube; Inert atmosphere;81 %Chromat.
bromobenzene
108-86-1

bromobenzene

ortho-toluoyl chloride
933-88-0

ortho-toluoyl chloride

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 100℃; for 16h; Sealed tube; Inert atmosphere;7 %Chromat.
2-amino-4,6-difluoro-benzothiazole
119256-40-5

2-amino-4,6-difluoro-benzothiazole

A

N-(4.6-Difluoro-benzothiazol-2-yl)-benzamide

N-(4.6-Difluoro-benzothiazol-2-yl)-benzamide

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
A 82%
B n/a
disodium hydrogenphosphate

disodium hydrogenphosphate

3-(2', 3'-dibromopropionamido)benzoyl chloride

3-(2', 3'-dibromopropionamido)benzoyl chloride

2,3-dibromo-propionyl chloride
18791-02-1

2,3-dibromo-propionyl chloride

meta-aminobenzoic acid
99-05-8

meta-aminobenzoic acid

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With hydrogenchloride In water
...Expand
dimethylsulfoxide (DMSO)

dimethylsulfoxide (DMSO)

1,2-dibromo-1,1,2,2-tetrafluoroethane
124-73-2

1,2-dibromo-1,1,2,2-tetrafluoroethane

methyl 4-hydroxylbenzoate
99-76-3

methyl 4-hydroxylbenzoate

A

methyl 4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzoate

methyl 4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzoate

B

benzoyl chloride
98-88-4

benzoyl chloride

Conditions
ConditionsYield
With potassium hydroxide In methanol
...Expand

Benzoyl chloride Chemical Properties

Molecular Structure:
Molecular Formula: C7H5ClO
Molecular Weight: 140.567
IUPAC Name: Benzoyl chloride
Synonyms of Benzoyl chloride (CAS NO.98-88-4): 4-09-00-00721 (Beilstein Handbook Reference) ; BRN 0471389 ; Benzaldehyde, alpha-chloro- ; Benzenecarbonyl chloride ; Benzoic acid, chloride ; CCRIS 802 ; EINECS 202-710-8 ; HSDB 383 ; alpha-Chlorobenzaldehyde ; Benzoyl chloride [UN1736] [Corrosive] ; UN1736
CAS NO: 98-88-4
Classification Code: Human Data ; Mutation data ; Tumor data
Melting point: -1 °C 
H bond acceptors: 1 
Freely Rotating Bonds: 1
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.542
Molar Refractivity: 36.49 cm3
Molar Volume: 115.8 cm3
Surface Tension: 39.8 dyne/cm
Density: 1.213 g/cm3
Flash Point: 70.7 °C
Enthalpy of Vaporization: 43.34 kJ/mol
Boiling Point: 197.2 °C at 760 mmHg
Vapour Pressure: 0.383 mmHg at 25°C
 

Benzoyl chloride Uses

 Benzoyl chloride (CAS NO.98-88-4) is used as an intermediate chemical in the preparation of dyes, perfumes, peroxides, pharmaceuticals, and resins. It is also used in photography; as gasoline gum inhibitors, and in the manufacture of synthetic tannins. It was formerly employed as an irritant gas in chemical warfare.

Benzoyl chloride Production

  Benzoyl chloride (CAS NO.98-88-4) is produced from benzotrichloride using either water or benzoic acid:
C6H5CCl3 + H2O → C6H5COCl + 2 HCl
C6H5CCl3 + C6H5CO2H → 2 C6H5COCl + HCl

Benzoyl chloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 2ppm/1M (2ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 "Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 31, 1961.
rat LC50 inhalation 1870mg/m3/2H (1870mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
rat LD50 oral 1900mg/kg (1900mg/kg)   Office of Toxic Substances Report. Vol. FYI-OTS-1180-0107,

Benzoyl chloride Consensus Reports

Related compounds :BENZOIC ACID, benzoic anhydride, Benzaldehyde

Benzoyl chloride Safety Profile

Hazard Codes of Benzoyl chloride (CAS NO.98-88-4): CorrosiveC
Risk Statements: 34 
R34: Causes burns.
Safety Statements: 26-45-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 1736 8/PG 2
WGK Germany: 1
RTECS: DM6600000
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
HS Code: 29310095
Hazardous Substances Data: 98-88-4(Hazardous Substances Data)
 

 

Benzoyl chloride Specification

Chemical Stability: Air sensitive. Moisture sensitive. 
Conditions to Avoid: Incompatible materials, ignition sources, excess heat, temperatures above 65°C, exposure to moist air or water. 
Incompatibilities with Other Materials Water, strong oxidizing agents, strong bases, alcohols, alkali metals, alkaline earth metals, aluminum, amines, dimethyl sulfoxide, caustics (e.g. ammonia, ammonium hydroxide, calcium hydroxide, potassium hydroxide, sodium hydroxide), explosives (e.g. ammonium nitrate, hydrazoic acid, sodium azide), potassium hydroxide, sodium azide, sulfur oxides. 
Hazardous Decomposition Products Hydrogen chloride, phosgene, carbon monoxide, carbon dioxide. 
Hazardous Polymerization Will not occur.

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