Product Name

  • Name

    4-Nitrobenzoyl chloride

  • EINECS 204-517-4
  • CAS No. 122-04-3
  • Article Data166
  • CAS DataBase
  • Density 1.453 g/cm3
  • Solubility Decomposes
  • Melting Point 71-74 °C(lit.)
  • Formula C7H4ClNO3
  • Boiling Point 277.8 °C at 760 mmHg
  • Molecular Weight 185.567
  • Flash Point 121.8 °C
  • Transport Information UN 3261 8/PG 2
  • Appearance yellow needles or powder
  • Safety 26-36/37/39-45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 122-04-3 (4-Nitrobenzoyl chloride)
  • Hazard Symbols CorrosiveC
  • Synonyms p-Nitrobenzoic acid chloride;Benzoyl chloride, p-nitro-;p-Nitrobenzonyl chloride;Paranitrobenzoyl chloride;4-Nitrobenzoic acid chloride;Benzoyl chloride, 4-nitro-;
  • PSA 62.89000
  • LogP 2.49700

Synthetic route

(4-nitrophenyl)ethanone
100-19-6

(4-nitrophenyl)ethanone

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
Stage #1: (4-nitrophenyl)ethanone With pyridine; disulfur dichloride In chlorobenzene at 20℃; for 2.5h;
Stage #2: With sulfuryl dichloride In chlorobenzene at 20 - 132℃; for 21h; Reagent/catalyst; Temperature;
90%
Stage #1: (4-nitrophenyl)ethanone With pyridine; sulfur monochloride In chlorobenzene at 20℃;
Stage #2: With thionyl chloride In chlorobenzene at 20 - 132℃;
71%
With pyridine; disulfur dichloride at 70 - 138℃; for 21.5h;83 %Spectr.
4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In ethyl acetate for 2h; Heating;100%
With thionyl chloride for 1h; Reflux;100%
With thionyl chloride; N,N-dimethyl-formamide for 5h; Reflux;100%
bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With pyridine; triethylamine In toluene at 0 - 20℃; for 20h;90%
5-fluorouracil
51-21-8

5-fluorouracil

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
52.9%
potassium 4-nitrobenzoate
15922-01-7

potassium 4-nitrobenzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride; N,N-dimethyl-formamide at 70 - 75℃; for 0.5h;98.5%
oxalyl dichloride
79-37-8

oxalyl dichloride

RT

RT

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
In dichloromethane; N,N-dimethyl-formamide; benzene
4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With iron(III) chloride; Benzotrichlorid In benzene at 60℃; Rate constant; Mechanism; Thermodynamic data; various concentration ratios;
With trichloroisocyanuric acid In dichloromethane at 20℃; for 120h; Inert atmosphere;
With trichloroisocyanuric acid In dichloromethane at 20℃; for 4h; Inert atmosphere; Irradiation;
With N-chloro-succinimide; thio-xanthene-9-one In acetonitrile at 20℃; for 7h; Irradiation;
N-amino-(4-nitrophenyl)carboxamide
636-97-5

N-amino-(4-nitrophenyl)carboxamide

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With hydrogenchloride; Nitroethane; chlorine
oxalyl dichloride
79-37-8

oxalyl dichloride

sodium-4-nitro benzoate

sodium-4-nitro benzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With benzene
4-nitrobenzyl chloride
619-73-8

4-nitrobenzyl chloride

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With trichloroisocyanuric acid In dichloromethane at 20℃; for 120h; Inert atmosphere;
tert-butyl 4-nitrobenzoate
19756-72-0

tert-butyl 4-nitrobenzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride; water In toluene at 100℃; for 16h; Sealed tube;
p-nitrobenzene iodide
636-98-6

p-nitrobenzene iodide

aroyl chloride

aroyl chloride

4-nitro-benzoyl chloride
122-04-3

4-nitro-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 12h;
tert-butyl 4-nitrobenzoate
19756-72-0

tert-butyl 4-nitrobenzoate

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With sodium hydroxide at 25℃; Rate constant; Equilibrium constant;
trans-5-methyl-2-cyclohexen-p-nitrobenzoate
52393-62-1, 92248-91-4, 99659-46-8

trans-5-methyl-2-cyclohexen-p-nitrobenzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With water
(p-nitrophenyl)chlorocarbene
102146-13-4

(p-nitrophenyl)chlorocarbene

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With oxygen In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃; Kinetics; Further Variations:; Temperatures;
pyridine
110-86-1

pyridine

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride; diethyl ether
benzoyl chloride
98-88-4

benzoyl chloride

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

m-nitrobenzoic acid chloride
121-90-4

m-nitrobenzoic acid chloride

Conditions
ConditionsYield
With tetrachloromethane; phosphorus pentaoxide; dinitrogen pentoxide
Dichloromethyl methyl ether
4885-02-3

Dichloromethyl methyl ether

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With zinc(II) chloride
oxalyl dichloride
79-37-8

oxalyl dichloride

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

oxalyl dichloride
79-37-8

oxalyl dichloride

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

<4-nitro-benzoic acid >-anhydride

<4-nitro-benzoic acid >-anhydride

C

oxalic acid bis-<4-nitro-benzoic acid >-anhydride

oxalic acid bis-<4-nitro-benzoic acid >-anhydride

3-chloro-3-(p-nitrophenyl)diazirine
39184-67-3

3-chloro-3-(p-nitrophenyl)diazirine

A

4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

B

4-nitrobenzyl chloride
100-14-1

4-nitrobenzyl chloride

C

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With oxygen In 2,2,4-trimethylpentane Product distribution; Mechanism; Ambient temperature; Irradiation;
1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

P2O5

P2O5

A

4-chloro-benzoyl chloride
122-01-0

4-chloro-benzoyl chloride

B

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
at 180℃; Einleiten von Chlor;
1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

phosphorus pentachloride
10026-13-8, 874483-75-7

phosphorus pentachloride

A

4-chloro-benzoyl chloride
122-01-0

4-chloro-benzoyl chloride

B

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
at 180℃; Einleiten von Chlor;
tetrachloromethane
56-23-5

tetrachloromethane

benzoyl chloride
98-88-4

benzoyl chloride

nitrogen pentoxide

nitrogen pentoxide

phosphorus pentoxide

phosphorus pentoxide

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

m-nitrobenzoic acid chloride
121-90-4

m-nitrobenzoic acid chloride

Conditions
ConditionsYield
at -10℃;
4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In ethyl acetate for 2h; Heating;100%
With thionyl chloride for 1h; Reflux;100%
With thionyl chloride; N,N-dimethyl-formamide for 5h; Reflux;100%
potassium 4-nitrobenzoate
15922-01-7

potassium 4-nitrobenzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride; N,N-dimethyl-formamide at 70 - 75℃; for 0.5h;98.5%
(4-nitrophenyl)ethanone
100-19-6

(4-nitrophenyl)ethanone

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
Stage #1: (4-nitrophenyl)ethanone With pyridine; disulfur dichloride In chlorobenzene at 20℃; for 2.5h;
Stage #2: With sulfuryl dichloride In chlorobenzene at 20 - 132℃; for 21h; Reagent/catalyst; Temperature;
90%
Stage #1: (4-nitrophenyl)ethanone With pyridine; sulfur monochloride In chlorobenzene at 20℃;
Stage #2: With thionyl chloride In chlorobenzene at 20 - 132℃;
71%
With pyridine; disulfur dichloride at 70 - 138℃; for 21.5h;83 %Spectr.
bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With pyridine; triethylamine In toluene at 0 - 20℃; for 20h;90%
5-fluorouracil
51-21-8

5-fluorouracil

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
52.9%
pyridine
110-86-1

pyridine

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride; diethyl ether
benzoyl chloride
98-88-4

benzoyl chloride

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

m-nitrobenzoic acid chloride
121-90-4

m-nitrobenzoic acid chloride

Conditions
ConditionsYield
With tetrachloromethane; phosphorus pentaoxide; dinitrogen pentoxide
N-amino-(4-nitrophenyl)carboxamide
636-97-5

N-amino-(4-nitrophenyl)carboxamide

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With hydrogenchloride; Nitroethane; chlorine
oxalyl dichloride
79-37-8

oxalyl dichloride

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Dichloromethyl methyl ether
4885-02-3

Dichloromethyl methyl ether

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With zinc(II) chloride
tert-butyl 4-nitrobenzoate
19756-72-0

tert-butyl 4-nitrobenzoate

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With sodium hydroxide at 25℃; Rate constant; Equilibrium constant;
trans-5-methyl-2-cyclohexen-p-nitrobenzoate
52393-62-1, 92248-91-4, 99659-46-8

trans-5-methyl-2-cyclohexen-p-nitrobenzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With water
4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With iron(III) chloride; Benzotrichlorid In benzene at 60℃; Rate constant; Mechanism; Thermodynamic data; various concentration ratios;
With trichloroisocyanuric acid In dichloromethane at 20℃; for 120h; Inert atmosphere;
With trichloroisocyanuric acid In dichloromethane at 20℃; for 4h; Inert atmosphere; Irradiation;
With N-chloro-succinimide; thio-xanthene-9-one In acetonitrile at 20℃; for 7h; Irradiation;
3-chloro-3-(p-nitrophenyl)diazirine
39184-67-3

3-chloro-3-(p-nitrophenyl)diazirine

A

4-nitrobenzaldehdye
555-16-8

4-nitrobenzaldehdye

B

4-nitrobenzyl chloride
100-14-1

4-nitrobenzyl chloride

C

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With oxygen In 2,2,4-trimethylpentane Product distribution; Mechanism; Ambient temperature; Irradiation;
oxalyl dichloride
79-37-8

oxalyl dichloride

sodium-4-nitro benzoate

sodium-4-nitro benzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With benzene
tetrachloromethane
56-23-5

tetrachloromethane

benzoyl chloride
98-88-4

benzoyl chloride

nitrogen pentoxide

nitrogen pentoxide

phosphorus pentoxide

phosphorus pentoxide

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

m-nitrobenzoic acid chloride
121-90-4

m-nitrobenzoic acid chloride

Conditions
ConditionsYield
at -10℃;
oxalyl dichloride
79-37-8

oxalyl dichloride

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

A

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

B

<4-nitro-benzoic acid >-anhydride

<4-nitro-benzoic acid >-anhydride

C

oxalic acid bis-<4-nitro-benzoic acid >-anhydride

oxalic acid bis-<4-nitro-benzoic acid >-anhydride

1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

phosphorus pentachloride
10026-13-8, 874483-75-7

phosphorus pentachloride

A

4-chloro-benzoyl chloride
122-01-0

4-chloro-benzoyl chloride

B

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
at 180℃; Einleiten von Chlor;
1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

P2O5

P2O5

A

4-chloro-benzoyl chloride
122-01-0

4-chloro-benzoyl chloride

B

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
at 180℃; Einleiten von Chlor;
(p-nitrophenyl)chlorocarbene
102146-13-4

(p-nitrophenyl)chlorocarbene

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With oxygen In 1,1,2-Trichloro-1,2,2-trifluoroethane at 20℃; Kinetics; Further Variations:; Temperatures;
oxalyl dichloride
79-37-8

oxalyl dichloride

RT

RT

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
In dichloromethane; N,N-dimethyl-formamide; benzene
4-nitrobenzyl chloride
619-73-8

4-nitrobenzyl chloride

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With trichloroisocyanuric acid In dichloromethane at 20℃; for 120h; Inert atmosphere;
tert-butyl 4-nitrobenzoate
19756-72-0

tert-butyl 4-nitrobenzoate

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride; water In toluene at 100℃; for 16h; Sealed tube;
p-nitrobenzene iodide
636-98-6

p-nitrobenzene iodide

aroyl chloride

aroyl chloride

4-nitro-benzoyl chloride
122-04-3

4-nitro-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 12h;
isobutylamine
78-81-9

isobutylamine

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

N-isobutyl-4-nitrobenzamide
2585-25-3

N-isobutyl-4-nitrobenzamide

Conditions
ConditionsYield
With triethylamine In benzene100%
With triethylamine In chloroform78%
4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

aniline
62-53-3

aniline

4-nitrobenzanilide
3460-11-5

4-nitrobenzanilide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 2.5h;100%
With pyridine Reflux;95%
With pyridine at 20℃; Inert atmosphere; Reflux;91%
4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

benzyl alcohol
100-51-6

benzyl alcohol

benzyl 4-nitrobenzoate
14786-27-7

benzyl 4-nitrobenzoate

Conditions
ConditionsYield
With dmap In dichloromethane at 20℃; for 96h; Inert atmosphere;100%
With dmap In dichloromethane at 20℃; for 24h;92%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;82%
4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

recorcinol
108-46-3

recorcinol

3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate
187264-29-5

3-(4-nitrobenzoyloxy)phenyl 4-nitrobenzoate

Conditions
ConditionsYield
With pyridine In tetrahydrofuran at 20℃; for 24h;100%
With tetralin at 160℃;
With pyridine at 100℃;
With pyridine In toluene Heating;
(-)-kainic acid
487-79-6

(-)-kainic acid

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

[(3S)-2t-carboxy-4c-isopropenyl-1-(4-nitro-benzoyl)-pyrrolidin-3r-yl]-acetic acid
101575-64-8

[(3S)-2t-carboxy-4c-isopropenyl-1-(4-nitro-benzoyl)-pyrrolidin-3r-yl]-acetic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 0 - 20℃; for 20h; Inert atmosphere;100%
With water; sodium carbonate
3-hydroxymethyl-3-methyloxethane
3143-02-0

3-hydroxymethyl-3-methyloxethane

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

(3-methyloxetan-3-yl)methyl 4-nitrobenzoate
140635-77-4

(3-methyloxetan-3-yl)methyl 4-nitrobenzoate

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 0.333333h;100%
L-glutamic acid 5-tert-butyl 1-methyl ester hydrochloride
6234-01-1

L-glutamic acid 5-tert-butyl 1-methyl ester hydrochloride

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

α-methyl γ-tert-butyl N-(p-nitrobenzoyl)-L-glutamate
95485-03-3

α-methyl γ-tert-butyl N-(p-nitrobenzoyl)-L-glutamate

Conditions
ConditionsYield
With triethylamine In dichloromethane for 18h;100%
tetramethylstannane
594-27-4

tetramethylstannane

4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

(4-nitrophenyl)ethanone
100-19-6

(4-nitrophenyl)ethanone

Conditions
ConditionsYield
With bis(η3-allyl-μ-chloropalladium(II)) In N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 0.166667h; Mechanism;100%
With bis(η3-allyl-μ-chloropalladium(II)) In N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 0.166667h;100%
With benzoylchlorobis(triphenylphosphine)palladium(II) In chloroform at 65℃; for 24h;95%
With N,N,N,N,N,N-hexamethylphosphoric triamide; poly-γ-(diphenylphosphino)propylsiloxane palladium(0) at 65℃; for 20h;83%
4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

1-(2-oxazolinyl)indole
140934-56-1

1-(2-oxazolinyl)indole

N-(2-Chloro-ethyl)-N-(indole-1-carbonyl)-4-nitro-benzamide

N-(2-Chloro-ethyl)-N-(indole-1-carbonyl)-4-nitro-benzamide

Conditions
ConditionsYield
In benzene for 12h; Heating;100%
4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

2,3,6-tridesoxy-3-(trifluoroacetamido)-L-ribo-hex-1-enitol
73891-06-2

2,3,6-tridesoxy-3-(trifluoroacetamido)-L-ribo-hex-1-enitol

2,3,6-tridesoxy-4-O-p-nitrobenzoyl-3-(trifluoroacetamido)-L-ribo-hex-1-enitol
73891-07-3

2,3,6-tridesoxy-4-O-p-nitrobenzoyl-3-(trifluoroacetamido)-L-ribo-hex-1-enitol

Conditions
ConditionsYield
In pyridine at 20℃; for 16h;100%
4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

methyl 5-O-benzoyl-3-O-benzyl-β-D-ribofuranoside
101024-28-6

methyl 5-O-benzoyl-3-O-benzyl-β-D-ribofuranoside

methyl 5-O-benzoyl-3-O-benzyl-2-O-(p-nitrobenzoyl)-β-D-ribofuranoside
101024-29-7

methyl 5-O-benzoyl-3-O-benzyl-2-O-(p-nitrobenzoyl)-β-D-ribofuranoside

Conditions
ConditionsYield
With pyridine for 18h; Ambient temperature;100%
4-nitro-benzoyl chloride
122-04-3

4-nitro-benzoyl chloride

methyl 5-O-benzoyl-2-O-benzyl-β-D-ribofuranoside
101024-26-4

methyl 5-O-benzoyl-2-O-benzyl-β-D-ribofuranoside

methyl 5-O-benzoyl-2-O-benzyl-3-O-(p-nitrobenzoyl)-β-D-ribofuranoside
101024-27-5

methyl 5-O-benzoyl-2-O-benzyl-3-O-(p-nitrobenzoyl)-β-D-ribofuranoside

Conditions
ConditionsYield
With pyridine for 18h; Ambient temperature;100%

4-Nitrobenzoyl chloride Consensus Reports

Reported in EPA TSCA Inventory.

4-Nitrobenzoyl chloride Specification

The IUPAC name of this chemical is 4-Nitrobenzoyl chloride. With the CAS registry number 122-04-3 and EINECS registry number 204-517-4, it is also named as p-nitrobenzonyl chloride. In addition, the molecular formula is C7H4ClNO3. What's more, it is a kind of yellow needles or powder and sensitive with moisture. Besides, it is incompatible with water, alcohols, strong oxidizing agents and strong bases.

Physical properties about this chemical are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.28; (5)ACD/BCF (pH 7.4): 26.28; (6)ACD/KOC (pH 5.5): 361.21; (7)ACD/KOC (pH 7.4): 361.21; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.89 Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 43.04 cm3; (13)Molar Volume: 127.6 cm3; (14)Polarizability: 17.06 ×10-24cm3; (15)Surface Tension: 54.2 dyne/cm; (16)Density: 1.453 g/cm3; (17)Flash Point: 121.8 °C; (18)Enthalpy of Vaporization: 51.64 kJ/mol; (19)Boiling Point: 277.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00442 mmHg at 25°C.

Preparation of 4-Nitrobenzoyl chloride: At first, add p-nitrobenzoic acid and phosphorus pentylchloride into the oil bath with heating. After the reaction, you can recycle trichlorooxyphosphorus through vacuum distillation. And then via vacuum distillation you can obtain the crude of this product. Next, melt the crude into liquld and then add carbon tetrachloride. You get the desired product through filtration, cooling and crystallization.

4-Nitrobenzoyl chloride can be prepared p-nitrobenzoic acid phosphorus pentylchloride4-Nitrobenzoyl chloride can be prepared p-nitrobenzoic acid phosphorus pentylchloride

Uses of 4-Nitrobenzoyl chloride: it can react with 2-hydroxy-1,2-diphenyl-ethanone to get a-(4-nitro-benzoyloxy)-deoxybenzoin. This reaction will need reagent pyridine. The reaction time is 15 minutes by heating. The yield is about 62%.

4-Nitrobenzoyl chloride can react with 2-hydroxy-1,2-diphenyl-ethanone to get a-(4-nitro-benzoyloxy)-deoxybenzoin

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(Cl)=O)cc1
(2)Std.InChI: InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H
(3)Std.InChIKey: SKDHHIUENRGTHK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3440mg/kg (3440mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(9), Pg. 47, 1984.
rabbit LD50 oral 4750mg/kg (4750mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(9), Pg. 47, 1984.
rat LD50 oral 5600mg/kg (5600mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(9), Pg. 47, 1984.

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