Molecular formula
C16H13ClN2O5

SMILES
CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Fragrance
Grape	65.62%
Fruity	54.4%
Floral	43.97%
Odorless	40.44%
Neroli	37.34%
Citrus	32.56%
Orange	30.99%
Sweet	26.58%
Powdery	24.25%
Winey	23.56%

 

Flavor
Bitter	72.37%
Odorless	47.86%
Mild	27.99%
Very mild	24.37%
Bland	23.92%
Fruity	23.18%
Orange flower	20.56%
Sweet-like	20.0%
Orange blossom	19.93%
Nitrile	19.67%

 

Odor impact est.
Low

XLogP3-AA
4.0

pKa est.
6.18 (neutral)

Molecular weight
348.74 g/mol

Flash point

• 223.22 ˚C est.

• ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
• Oprea1_090501
• SCHEMBL3506460
• STK062956
• AKOS001339369
• AB00088717-01
• SR-01000407226
• ETHYL 2-(2-CHLORO-4-NITROBENZAMIDO)BENZOATE
• SR-01000407226-1
• Z30618387
• ethyl 2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}benzoate

Ethyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate is used primarily as a synthetic intermediate in medicinal chemistry, enabling construction of anthranilamide-type frameworks and related drug-like molecules; it also serves as a building block in agrochemical research for the synthesis of arylamide-based compounds; it can act as a precursor to organic dyes and pigments through subsequent functionalization of the aryl nitro and chloro substituents; it is employed as a specialty building block in polymer and materials development to introduce an aromatic amide motif; and it supports library- and lead-generation efforts in pharmaceutical discovery by providing a versatile coupling partner for diversification.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2.12
methanol	2.63
isopropanol	1.87
water	0.0
ethyl acetate	16.01
n-propanol	3.01
acetone	29.04
n-butanol	3.14
acetonitrile	8.23
DMF	83.57
toluene	10.25
isobutanol	2.41
1,4-dioxane	30.0
methyl acetate	21.69
THF	74.03
2-butanone	44.25
n-pentanol	4.48
sec-butanol	4.32
n-hexane	0.08
ethylene glycol	0.63
NMP	104.42
cyclohexane	0.14
DMSO	39.88
n-butyl acetate	13.42
n-octanol	1.18
chloroform	23.46
n-propyl acetate	14.84
acetic acid	9.92
dichloromethane	28.41
cyclohexanone	67.3
propylene glycol	1.61
isopropyl acetate	10.55
DMAc	189.41
2-ethoxyethanol	17.6
isopentanol	3.65
n-heptane	0.09
ethyl formate	9.99
1,2-dichloroethane	20.09
n-hexanol	3.32
2-methoxyethanol	20.79
isobutyl acetate	6.9
tetrachloromethane	0.74
n-pentyl acetate	8.01
transcutol	46.57
n-heptanol	2.23
ethylbenzene	4.47
MIBK	13.09
2-propoxyethanol	21.88
tert-butanol	3.82
MTBE	6.79
2-butoxyethanol	10.95
propionic acid	8.88
o-xylene	6.02
formic acid	4.23
diethyl ether	5.66
m-xylene	4.31
p-xylene	6.06
chlorobenzene	10.57
dimethyl carbonate	18.58
n-octane	0.07
formamide	9.65
cyclopentanone	83.19
2-pentanone	24.63
anisole	17.77
cyclopentyl methyl ether	14.87
gamma-butyrolactone	65.73
1-methoxy-2-propanol	17.39
pyridine	40.12
3-pentanone	25.71
furfural	59.85
n-dodecane	0.11
diethylene glycol	15.49
diisopropyl ether	1.45
tert-amyl alcohol	6.61
acetylacetone	41.55
n-hexadecane	0.13
acetophenone	26.11
methyl propionate	22.09
isopentyl acetate	11.32
trichloroethylene	55.58
n-nonanol	1.61
cyclohexanol	6.52
benzyl alcohol	16.53
2-ethylhexanol	3.41
isooctanol	2.27
dipropyl ether	5.3
1,2-dichlorobenzene	10.11
ethyl lactate	13.02
propylene carbonate	26.11
n-methylformamide	18.37
2-pentanol	2.48
n-pentane	0.06
1-propoxy-2-propanol	16.32
1-methoxy-2-propyl acetate	25.9
2-(2-methoxypropoxy) propanol	24.8
mesitylene	2.06
ε-caprolactone	43.98
p-cymene	2.82
epichlorohydrin	66.56
1,1,1-trichloroethane	9.88
2-aminoethanol	1.84
morpholine-4-carbaldehyde	79.44
sulfolane	94.63
2,2,4-trimethylpentane	0.19
2-methyltetrahydrofuran	28.63
n-hexyl acetate	7.43
isooctane	0.09
2-(2-butoxyethoxy)ethanol	21.14
sec-butyl acetate	10.37
tert-butyl acetate	14.57
decalin	0.26
glycerin	4.76
diglyme	45.06
acrylic acid	10.59
isopropyl myristate	4.84
n-butyric acid	10.11
acetyl acetate	13.56
di(2-ethylhexyl) phthalate	8.72
ethyl propionate	15.35
nitromethane	40.14
1,2-diethoxyethane	15.75
benzonitrile	17.9
trioctyl phosphate	4.63
1-bromopropane	6.91
gamma-valerolactone	99.53
n-decanol	1.42
triethyl phosphate	10.11
4-methyl-2-pentanol	2.02
propionitrile	9.14
vinylene carbonate	26.7
1,1,2-trichlorotrifluoroethane	43.68
DMS	18.27
cumene	2.6
2-octanol	1.47
2-hexanone	23.46
octyl acetate	5.94
limonene	4.21
1,2-dimethoxyethane	44.34
ethyl orthosilicate	8.19
tributyl phosphate	6.58
diacetone alcohol	21.93
N,N-dimethylaniline	12.25
acrylonitrile	17.42
aniline	14.31
1,3-propanediol	4.05
bromobenzene	9.49
dibromomethane	13.57
1,1,2,2-tetrachloroethane	35.97
2-methyl-cyclohexyl acetate	13.38
tetrabutyl urea	12.83
diisobutyl methanol	2.54
2-phenylethanol	13.85
styrene	6.34
dioctyl adipate	12.5
dimethyl sulfate	40.39
ethyl butyrate	14.31
methyl lactate	18.91
butyl lactate	10.72
diethyl carbonate	10.5
propanediol butyl ether	8.34
triethyl orthoformate	11.64
p-tert-butyltoluene	2.55
methyl 4-tert-butylbenzoate	20.61
morpholine	30.7
tert-butylamine	1.6
n-dodecanol	1.23
dimethoxymethane	34.87
ethylene carbonate	18.51
cyrene	36.1
2-ethoxyethyl acetate	18.98
2-ethylhexyl acetate	9.32
1,2,4-trichlorobenzene	16.34
4-methylpyridine	38.29
dibutyl ether	3.59
2,6-dimethyl-4-heptanol	2.54
DEF	41.5
dimethyl isosorbide	44.97
tetrachloroethylene	15.32
eugenol	21.58
triacetin	18.94
span 80	15.59
1,4-butanediol	2.7
1,1-dichloroethane	12.33
2-methyl-1-pentanol	6.25
methyl formate	17.51
2-methyl-1-butanol	4.31
n-decane	0.15
butyronitrile	7.9
3,7-dimethyl-1-octanol	2.26
1-chlorooctane	1.06
1-chlorotetradecane	0.65
n-nonane	0.11
undecane	0.13
tert-butylcyclohexane	0.24
cyclooctane	0.05
cyclopentanol	7.12
tetrahydropyran	18.9
tert-amyl methyl ether	9.13
2,5,8-trioxanonane	40.02
1-hexene	1.16
2-isopropoxyethanol	13.2
2,2,2-trifluoroethanol	5.6
methyl butyrate	21.06

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