Molecular formula
C17H14Cl2N4

SMILES
CC1=CN=C(N=C1NC2=CC(=CC=C2)Cl)NC3=CC(=CC=C3)Cl

Fragrance
Fruity	45.68%
Floral	42.23%
Animal	38.2%
Grape	37.27%
Sweet	27.95%
Burnt	24.05%
Fatty	23.52%
Cheesy	23.45%
Meaty	23.42%
Neroli	23.34%

 

Flavor
Bitter	72.03%
Odorless	28.5%
Mild	22.56%
Very strong	20.26%
Indole	20.04%
Nitrile	19.96%
Scallion	19.24%
Cedarleaf	18.83%
Moth ball	18.79%
Sweet-like	18.73%

 

Odor impact est.
Odorless

XLogP3-AA
5.6

pKa est.
5.33 (weak acid)

Molecular weight
345.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
739°C

Flash point

• 229.9 ˚C est.

• N2,N4-bis(3-chlorophenyl)-5-methyl-pyrimidine-2,4-diamine
• 2,4-Pyrimidinediamine, N,N'-bis(3-chlorophenyl)-5-methyl-

2,4-Pyrimidinediamine, N,N'-bis(3-chlorophenyl)-5-methyl- is commonly used as an intermediate in organic synthesis, particularly in medicinal chemistry for pyrimidine-based drug candidates and biological activity modifiers. It is also explored as a building block in agrochemical research for developing herbicide or fungicide leads. The diarylamine-diaminopyrimidine scaffold provides a route to dye and pigment precursors in dye chemistry. Additionally, it serves as a platform for materials science and polymer-related investigations, enabling the synthesis of functional heterocycles and advanced organic materials. Actual applications depend on formulation, regulatory constraints, and local guidelines.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	13.89
methanol	11.27
isopropanol	7.11
water	0.01
ethyl acetate	27.57
n-propanol	14.6
acetone	39.05
n-butanol	13.69
acetonitrile	5.52
DMF	125.81
toluene	8.16
isobutanol	9.66
1,4-dioxane	36.27
methyl acetate	25.77
THF	220.28
2-butanone	57.48
n-pentanol	13.53
sec-butanol	11.67
n-hexane	0.1
ethylene glycol	2.33
NMP	98.98
cyclohexane	0.09
DMSO	59.18
n-butyl acetate	22.1
n-octanol	6.41
chloroform	63.12
n-propyl acetate	23.82
acetic acid	25.41
dichloromethane	41.57
cyclohexanone	65.82
propylene glycol	10.48
isopropyl acetate	17.4
DMAc	221.58
2-ethoxyethanol	42.92
isopentanol	11.61
n-heptane	0.33
ethyl formate	24.87
1,2-dichloroethane	19.9
n-hexanol	9.82
2-methoxyethanol	67.46
isobutyl acetate	16.65
tetrachloromethane	2.0
n-pentyl acetate	20.69
transcutol	94.2
n-heptanol	9.4
ethylbenzene	3.19
MIBK	19.24
2-propoxyethanol	48.72
tert-butanol	6.82
MTBE	7.63
2-butoxyethanol	34.64
propionic acid	19.39
o-xylene	3.87
formic acid	9.13
diethyl ether	6.31
m-xylene	4.62
p-xylene	5.01
chlorobenzene	17.07
dimethyl carbonate	27.9
n-octane	0.18
formamide	16.17
cyclopentanone	130.19
2-pentanone	39.83
anisole	20.48
cyclopentyl methyl ether	29.97
gamma-butyrolactone	113.39
1-methoxy-2-propanol	55.15
pyridine	57.95
3-pentanone	26.41
furfural	105.96
n-dodecane	0.27
diethylene glycol	27.78
diisopropyl ether	1.7
tert-amyl alcohol	9.66
acetylacetone	48.39
n-hexadecane	0.31
acetophenone	29.27
methyl propionate	37.86
isopentyl acetate	20.88
trichloroethylene	83.7
n-nonanol	7.48
cyclohexanol	10.7
benzyl alcohol	26.82
2-ethylhexanol	7.79
isooctanol	8.4
dipropyl ether	10.23
1,2-dichlorobenzene	14.96
ethyl lactate	22.99
propylene carbonate	57.71
n-methylformamide	33.51
2-pentanol	7.37
n-pentane	0.08
1-propoxy-2-propanol	36.17
1-methoxy-2-propyl acetate	41.42
2-(2-methoxypropoxy) propanol	37.09
mesitylene	2.03
ε-caprolactone	60.62
p-cymene	3.94
epichlorohydrin	135.41
1,1,1-trichloroethane	14.09
2-aminoethanol	9.59
morpholine-4-carbaldehyde	97.73
sulfolane	107.18
2,2,4-trimethylpentane	0.25
2-methyltetrahydrofuran	58.03
n-hexyl acetate	19.82
isooctane	0.14
2-(2-butoxyethoxy)ethanol	45.93
sec-butyl acetate	15.52
tert-butyl acetate	17.39
decalin	0.23
glycerin	19.55
diglyme	77.3
acrylic acid	20.8
isopropyl myristate	9.02
n-butyric acid	33.6
acetyl acetate	16.16
di(2-ethylhexyl) phthalate	15.35
ethyl propionate	21.45
nitromethane	54.95
1,2-diethoxyethane	26.08
benzonitrile	24.03
trioctyl phosphate	9.41
1-bromopropane	8.11
gamma-valerolactone	159.9
n-decanol	5.78
triethyl phosphate	13.42
4-methyl-2-pentanol	5.07
propionitrile	10.24
vinylene carbonate	52.06
1,1,2-trichlorotrifluoroethane	102.92
DMS	21.78
cumene	2.42
2-octanol	6.11
2-hexanone	28.52
octyl acetate	12.75
limonene	5.14
1,2-dimethoxyethane	60.61
ethyl orthosilicate	12.71
tributyl phosphate	10.81
diacetone alcohol	30.32
N,N-dimethylaniline	13.0
acrylonitrile	17.22
aniline	23.91
1,3-propanediol	18.41
bromobenzene	13.49
dibromomethane	17.88
1,1,2,2-tetrachloroethane	62.1
2-methyl-cyclohexyl acetate	18.71
tetrabutyl urea	16.53
diisobutyl methanol	4.46
2-phenylethanol	22.77
styrene	4.75
dioctyl adipate	18.77
dimethyl sulfate	43.08
ethyl butyrate	21.66
methyl lactate	37.83
butyl lactate	25.63
diethyl carbonate	15.3
propanediol butyl ether	30.61
triethyl orthoformate	19.96
p-tert-butyltoluene	3.63
methyl 4-tert-butylbenzoate	29.88
morpholine	60.95
tert-butylamine	2.37
n-dodecanol	4.22
dimethoxymethane	80.94
ethylene carbonate	35.26
cyrene	49.52
2-ethoxyethyl acetate	36.1
2-ethylhexyl acetate	17.11
1,2,4-trichlorobenzene	24.11
4-methylpyridine	47.57
dibutyl ether	8.02
2,6-dimethyl-4-heptanol	4.46
DEF	46.69
dimethyl isosorbide	61.27
tetrachloroethylene	26.56
eugenol	34.04
triacetin	29.56
span 80	31.8
1,4-butanediol	7.94
1,1-dichloroethane	17.46
2-methyl-1-pentanol	12.64
methyl formate	29.41
2-methyl-1-butanol	13.07
n-decane	0.39
butyronitrile	13.68
3,7-dimethyl-1-octanol	7.19
1-chlorooctane	2.77
1-chlorotetradecane	1.32
n-nonane	0.29
undecane	0.32
tert-butylcyclohexane	0.26
cyclooctane	0.05
cyclopentanol	18.91
tetrahydropyran	29.93
tert-amyl methyl ether	9.91
2,5,8-trioxanonane	56.51
1-hexene	1.29
2-isopropoxyethanol	28.29
2,2,2-trifluoroethanol	9.93
methyl butyrate	31.57

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