Molecular formula
C13H20Cl2N2O2

SMILES
CC[NH+](CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.[Cl-]

Safety labels

Fragrance
Grape	48.31%
Fruity	35.6%
Sweet	32.84%
Citrus	32.48%
Odorless	31.27%
Floral	30.18%
Grapefruit	27.03%
Animal	24.98%
Neroli	21.51%
Savory	21.26%

 

Flavor
Bitter	38.0%
Fruity	35.02%
Mild	33.66%
Odorless	32.18%
Bland	22.79%
Floral	21.99%
Herbal	21.32%
Petitgrain	20.36%
Orange flower	20.29%
Orange blossom	20.22%

 

Odor impact est.
Odorless

pKa est.
5.88 (weak acid)

Molecular weight
307.21 g/mol

Flash point

• 184.11 ˚C est.

• Nesacaine
• Nesacaine-Mpf
• Nesecaine-CE
• EINECS 223-371-2
• UNII-LT7Z1YW11H
• 2-(4-amino-2-chlorobenzoyl)oxyethyl-diethylazanium;chloride
• 2-Diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride
• BENZOIC ACID, 4-AMINO-2-CHLORO-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
• Benzoic acid, 4-amino-2-chloro-, 2-diethylaminoethyl ester, hydrochloride

2-Diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride is commonly used as an organic synthesis intermediate in the pharmaceutical industry, enabling the preparation of API precursors and various medicinal chemistry derivatives; it also serves as a building block in dye and pigment chemistry, providing a functional benzoate scaffold for the synthesis of colorants; the compound can be employed as a precursor for polymer modification or for introducing diethylaminoethyl functionality into polymers and coatings; it is used in the coatings and inks sector for color development and surface functionality; and in research and development it is a versatile reagent for exploring structure-activity relationships and for preparing related chlorinated benzoate derivatives.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	70.96
methanol	100.94
isopropanol	27.62
water	0.47
ethyl acetate	71.31
n-propanol	50.43
acetone	120.0
n-butanol	42.89
acetonitrile	36.98
DMF	401.27
toluene	17.04
isobutanol	29.1
1,4-dioxane	56.53
methyl acetate	62.52
THF	174.84
2-butanone	75.64
n-pentanol	32.79
sec-butanol	26.2
n-hexane	0.59
ethylene glycol	40.18
NMP	491.85
cyclohexane	1.35
DMSO	731.3
n-butyl acetate	48.22
n-octanol	4.31
chloroform	276.72
n-propyl acetate	42.42
acetic acid	251.64
dichloromethane	337.13
cyclohexanone	159.06
propylene glycol	55.77
isopropyl acetate	38.32
DMAc	459.83
2-ethoxyethanol	120.12
isopentanol	33.76
n-heptane	0.48
ethyl formate	62.6
1,2-dichloroethane	232.32
n-hexanol	21.29
2-methoxyethanol	231.53
isobutyl acetate	25.13
tetrachloromethane	22.58
n-pentyl acetate	23.85
transcutol	370.28
n-heptanol	10.48
ethylbenzene	7.46
MIBK	35.21
2-propoxyethanol	96.77
tert-butanol	34.32
MTBE	18.0
2-butoxyethanol	50.22
propionic acid	86.41
o-xylene	13.82
formic acid	169.47
diethyl ether	15.48
m-xylene	14.14
p-xylene	12.06
chlorobenzene	60.96
dimethyl carbonate	55.89
n-octane	0.22
formamide	272.13
cyclopentanone	246.85
2-pentanone	65.75
anisole	33.29
cyclopentyl methyl ether	60.68
gamma-butyrolactone	311.28
1-methoxy-2-propanol	135.98
pyridine	96.98
3-pentanone	51.78
furfural	310.95
n-dodecane	0.18
diethylene glycol	120.7
diisopropyl ether	4.4
tert-amyl alcohol	31.94
acetylacetone	122.96
n-hexadecane	0.22
acetophenone	59.22
methyl propionate	82.02
isopentyl acetate	43.84
trichloroethylene	502.41
n-nonanol	5.07
cyclohexanol	40.47
benzyl alcohol	56.82
2-ethylhexanol	12.21
isooctanol	9.35
dipropyl ether	10.12
1,2-dichlorobenzene	67.55
ethyl lactate	43.44
propylene carbonate	152.98
n-methylformamide	177.65
2-pentanol	17.66
n-pentane	0.57
1-propoxy-2-propanol	60.43
1-methoxy-2-propyl acetate	87.32
2-(2-methoxypropoxy) propanol	63.82
mesitylene	8.19
ε-caprolactone	143.21
p-cymene	7.09
epichlorohydrin	371.37
1,1,1-trichloroethane	117.37
2-aminoethanol	84.69
morpholine-4-carbaldehyde	320.99
sulfolane	523.9
2,2,4-trimethylpentane	0.79
2-methyltetrahydrofuran	92.0
n-hexyl acetate	21.19
isooctane	0.51
2-(2-butoxyethoxy)ethanol	80.85
sec-butyl acetate	25.58
tert-butyl acetate	43.5
decalin	1.14
glycerin	116.54
diglyme	171.38
acrylic acid	107.5
isopropyl myristate	8.28
n-butyric acid	114.6
acetyl acetate	64.19
di(2-ethylhexyl) phthalate	21.35
ethyl propionate	36.05
nitromethane	343.64
1,2-diethoxyethane	48.86
benzonitrile	49.65
trioctyl phosphate	12.07
1-bromopropane	42.89
gamma-valerolactone	352.07
n-decanol	3.84
triethyl phosphate	30.51
4-methyl-2-pentanol	11.84
propionitrile	29.31
vinylene carbonate	129.29
1,1,2-trichlorotrifluoroethane	388.5
DMS	49.38
cumene	6.45
2-octanol	4.56
2-hexanone	38.54
octyl acetate	12.94
limonene	9.7
1,2-dimethoxyethane	116.87
ethyl orthosilicate	26.58
tributyl phosphate	17.58
diacetone alcohol	79.31
N,N-dimethylaniline	29.02
acrylonitrile	55.24
aniline	59.22
1,3-propanediol	97.53
bromobenzene	55.0
dibromomethane	154.63
1,1,2,2-tetrachloroethane	353.17
2-methyl-cyclohexyl acetate	37.82
tetrabutyl urea	24.38
diisobutyl methanol	7.16
2-phenylethanol	48.79
styrene	10.92
dioctyl adipate	25.96
dimethyl sulfate	158.89
ethyl butyrate	37.71
methyl lactate	86.46
butyl lactate	37.45
diethyl carbonate	32.47
propanediol butyl ether	47.09
triethyl orthoformate	32.1
p-tert-butyltoluene	6.95
methyl 4-tert-butylbenzoate	47.63
morpholine	115.73
tert-butylamine	12.94
n-dodecanol	2.92
dimethoxymethane	138.11
ethylene carbonate	99.37
cyrene	101.57
2-ethoxyethyl acetate	61.17
2-ethylhexyl acetate	30.89
1,2,4-trichlorobenzene	102.15
4-methylpyridine	95.19
dibutyl ether	5.63
2,6-dimethyl-4-heptanol	7.16
DEF	125.88
dimethyl isosorbide	132.72
tetrachloroethylene	189.93
eugenol	55.7
triacetin	51.73
span 80	46.8
1,4-butanediol	43.95
1,1-dichloroethane	128.75
2-methyl-1-pentanol	29.93
methyl formate	114.73
2-methyl-1-butanol	32.7
n-decane	0.26
butyronitrile	31.3
3,7-dimethyl-1-octanol	6.87
1-chlorooctane	2.43
1-chlorotetradecane	1.14
n-nonane	0.22
undecane	0.21
tert-butylcyclohexane	0.91
cyclooctane	0.48
cyclopentanol	59.74
tetrahydropyran	45.19
tert-amyl methyl ether	18.1
2,5,8-trioxanonane	121.87
1-hexene	3.61
2-isopropoxyethanol	64.62
2,2,2-trifluoroethanol	116.85
methyl butyrate	56.05

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