Molecular formula
C15H15ClN4

SMILES
CCC1=NN([N+](=N1)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Fragrance
Fruity	42.9%
Earthy	41.56%
Animal	38.4%
Roasted	37.12%
Burnt	36.14%
Nutty	33.96%
Floral	33.66%
Musty	31.96%
Grape	25.54%
Green	25.43%

 

Flavor
Bitter	57.53%
Earthy	27.21%
Very strong	23.03%
Indole	22.88%
Naphthelene	22.86%
Coffee	22.85%
Moth ball	22.82%
Fruity	22.79%
Roasted	22.48%
Musty	22.32%

 

Odor impact est.
Low

pKa est.
3.68 (weak acid)

Molecular weight
286.76 g/mol

Flash point

• 192.23 ˚C est.

CID 560880 is a chemical with limited publicly documented uses; in industrial contexts it may be used as an organic synthesis intermediate and as a processing aid or solvent. Potential applications include coatings and inks formulations, plastics and polymer formulations, pharmaceutical or agrochemical intermediate synthesis, and specialty cleaning formulations. All uses are subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	108.8
methanol	84.03
isopropanol	65.07
water	0.29
ethyl acetate	219.65
n-propanol	98.53
acetone	493.83
n-butanol	97.51
acetonitrile	187.16
DMF	808.71
toluene	176.84
isobutanol	82.62
1,4-dioxane	331.86
methyl acetate	247.16
THF	589.21
2-butanone	372.99
n-pentanol	92.48
sec-butanol	87.26
n-hexane	14.86
ethylene glycol	24.6
NMP	555.76
cyclohexane	32.75
DMSO	387.06
n-butyl acetate	173.93
n-octanol	56.51
chloroform	1209.12
n-propyl acetate	165.11
acetic acid	184.91
dichloromethane	1315.4
cyclohexanone	560.14
propylene glycol	36.03
isopropyl acetate	119.02
DMAc	609.54
2-ethoxyethanol	139.35
isopentanol	93.48
n-heptane	11.29
ethyl formate	243.14
1,2-dichloroethane	838.48
n-hexanol	88.82
2-methoxyethanol	212.35
isobutyl acetate	112.88
tetrachloromethane	67.86
n-pentyl acetate	119.3
transcutol	387.9
n-heptanol	58.69
ethylbenzene	111.28
MIBK	136.66
2-propoxyethanol	158.76
tert-butanol	61.84
MTBE	79.19
2-butoxyethanol	115.01
propionic acid	141.56
o-xylene	90.16
formic acid	65.01
diethyl ether	134.83
m-xylene	94.9
p-xylene	159.23
chlorobenzene	445.9
dimethyl carbonate	151.47
n-octane	7.56
formamide	144.47
cyclopentanone	719.36
2-pentanone	261.93
anisole	190.31
cyclopentyl methyl ether	186.91
gamma-butyrolactone	701.5
1-methoxy-2-propanol	150.91
pyridine	609.46
3-pentanone	226.99
furfural	665.71
n-dodecane	8.44
diethylene glycol	108.84
diisopropyl ether	35.22
tert-amyl alcohol	68.66
acetylacetone	313.28
n-hexadecane	9.94
acetophenone	232.5
methyl propionate	218.66
isopentyl acetate	146.26
trichloroethylene	1634.2
n-nonanol	56.41
cyclohexanol	115.76
benzyl alcohol	166.93
2-ethylhexanol	71.99
isooctanol	50.38
dipropyl ether	78.15
1,2-dichlorobenzene	369.71
ethyl lactate	85.34
propylene carbonate	384.07
n-methylformamide	257.9
2-pentanol	64.59
n-pentane	11.53
1-propoxy-2-propanol	106.39
1-methoxy-2-propyl acetate	134.96
2-(2-methoxypropoxy) propanol	115.02
mesitylene	51.09
ε-caprolactone	371.61
p-cymene	53.4
epichlorohydrin	858.19
1,1,1-trichloroethane	371.34
2-aminoethanol	52.45
morpholine-4-carbaldehyde	385.39
sulfolane	658.35
2,2,4-trimethylpentane	8.23
2-methyltetrahydrofuran	319.53
n-hexyl acetate	148.4
isooctane	5.05
2-(2-butoxyethoxy)ethanol	158.85
sec-butyl acetate	103.94
tert-butyl acetate	99.55
decalin	20.6
glycerin	52.92
diglyme	301.31
acrylic acid	167.69
isopropyl myristate	60.84
n-butyric acid	200.76
acetyl acetate	152.55
di(2-ethylhexyl) phthalate	76.17
ethyl propionate	147.15
nitromethane	446.53
1,2-diethoxyethane	151.24
benzonitrile	267.8
trioctyl phosphate	51.36
1-bromopropane	292.4
gamma-valerolactone	691.52
n-decanol	45.54
triethyl phosphate	71.88
4-methyl-2-pentanol	46.17
propionitrile	169.34
vinylene carbonate	407.66
1,1,2-trichlorotrifluoroethane	367.46
DMS	172.75
cumene	71.1
2-octanol	41.48
2-hexanone	194.76
octyl acetate	83.27
limonene	65.0
1,2-dimethoxyethane	299.37
ethyl orthosilicate	63.79
tributyl phosphate	66.68
diacetone alcohol	117.49
N,N-dimethylaniline	122.4
acrylonitrile	262.48
aniline	187.74
1,3-propanediol	82.98
bromobenzene	482.06
dibromomethane	741.38
1,1,2,2-tetrachloroethane	1037.8
2-methyl-cyclohexyl acetate	112.27
tetrabutyl urea	90.34
diisobutyl methanol	39.46
2-phenylethanol	143.38
styrene	165.35
dioctyl adipate	99.11
dimethyl sulfate	217.46
ethyl butyrate	128.85
methyl lactate	111.19
butyl lactate	94.46
diethyl carbonate	105.01
propanediol butyl ether	97.51
triethyl orthoformate	87.09
p-tert-butyltoluene	44.01
methyl 4-tert-butylbenzoate	118.77
morpholine	321.37
tert-butylamine	39.18
n-dodecanol	38.4
dimethoxymethane	312.87
ethylene carbonate	303.93
cyrene	152.27
2-ethoxyethyl acetate	153.45
2-ethylhexyl acetate	124.92
1,2,4-trichlorobenzene	409.78
4-methylpyridine	465.19
dibutyl ether	89.2
2,6-dimethyl-4-heptanol	39.46
DEF	284.75
dimethyl isosorbide	195.26
tetrachloroethylene	597.18
eugenol	133.82
triacetin	129.8
span 80	99.54
1,4-butanediol	45.66
1,1-dichloroethane	504.21
2-methyl-1-pentanol	100.59
methyl formate	271.44
2-methyl-1-butanol	95.61
n-decane	11.96
butyronitrile	177.2
3,7-dimethyl-1-octanol	59.87
1-chlorooctane	60.09
1-chlorotetradecane	28.56
n-nonane	10.02
undecane	9.89
tert-butylcyclohexane	13.88
cyclooctane	8.97
cyclopentanol	142.19
tetrahydropyran	308.89
tert-amyl methyl ether	72.75
2,5,8-trioxanonane	204.21
1-hexene	78.43
2-isopropoxyethanol	96.81
2,2,2-trifluoroethanol	96.13
methyl butyrate	234.14

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