-
Name
1,3-Diiminoisoindoline
- EINECS 222-426-8
- CAS No. 3468-11-9
- Article Data2
- CAS DataBase
- Density 1.41 g/cm3
- Solubility 31.6g/L at 20℃
- Melting Point ~197 °C (dec.)(lit.)
- Formula C8H7N3
- Boiling Point 300.5 °C at 760 mmHg
- Molecular Weight 145.164
- Flash Point 135.5 °C
- Transport Information
- Appearance
- Safety 26-36-45-36/37/39-28
- Risk Codes 36/37/38-23/24/25
-
Molecular Structure
-
Hazard Symbols
Xi, 
T
- Synonyms 1H-Isoindole,3-amino-1-imino- (6CI,7CI);Isoindoline, 1,3-diimino- (8CI);1,3-Diiminoisoindolenine;1-Amino-3-iminoisoindolenine;3-Amino-1-imino-1H-isoindole;3-Amino-1H-isoindol-1-imine;3-Iminoisoindolenin-1-amine;Fastogen Blue 5040;Fastogen Blue FP-3100;Fastogen Blue SH-100;Phthalimidimide;
- PSA 62.23000
- LogP 0.96650
Synthetic route
| Conditions | Yield |
|---|---|
| With ammonia; sodium hydroxide In methanol at 20℃; for 3.75h; Reflux; | 80% |
| Conditions | Yield |
|---|---|
| With ammonia; sodium methylate In methanol at 20℃; for 3.75h; Reflux; | A 23% B n/a |
-
-
1403497-90-4
C17H26N4O4
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
1403610-66-1
tert-butyl (S)-1-{(S)-1-[(Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazinyl]-1-oxopropan-2-ylamino}-1-oxo-3-phenylpropan-2-ylcarbamate
| Conditions | Yield |
|---|---|
| In methanol for 4h; Reflux; | 98% |
-
-
2481-20-1
N-Boc-L-Alanyl-L-phenylalanin-hydrazid
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
1403610-65-0
tert-butyl (S)-1-{(S)-1-[(Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazinyl]-1-oxo-3-phenylpropan-2-ylamino}-1-oxopropan-2-ylcarbamate
| Conditions | Yield |
|---|---|
| In methanol for 4h; Reflux; | 97% |
| Conditions | Yield |
|---|---|
| In methanol for 2h; Reflux; | 97% |
-
-
17846-15-0
adamantane-1-carbohydrazide
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 96% |
-
-
68762-13-0, 66845-41-8
N-tert-butyloxycarbonylalanylalanyl hydrazide
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
1403610-64-9
tert-butyl (S)-1-{(S)-1-[(Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazinyl]-1-oxopropan-2-ylamino}-1-oxopropan-2-ylcarbamate
| Conditions | Yield |
|---|---|
| In methanol for 4h; Reflux; | 95% |
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
| Conditions | Yield |
|---|---|
| In methanol at 20℃; | 95% |
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 88% |
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
74-89-5
methylamine
-
-
88988-76-5, 89130-82-5, 93698-08-9, 93698-09-0
3-(methylamino)-1-(methylimino)-1H-isoindole
| Conditions | Yield |
|---|---|
| In ethanol for 18h; Heating; | 84% |
-
-
106-49-0
p-toluidine
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
104830-21-9
Z-3-amino-1-(4-methylphenyl)imino-1H-isoindole
| Conditions | Yield |
|---|---|
| In ethanol for 2h; Heating; | 82% |
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 78% |
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 78% |
-
-
96134-80-4
3-<(Diethylamino)sulfonyl>benzoic Acid Hydrazide
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 78% |
-
-
83-34-1
3-Methylindole
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
1215004-78-6
(3-amino-isoindol-1-ylidene)-(3-methyl-indol-2-yl)-amine
| Conditions | Yield |
|---|---|
| Stage #1: 3-Methylindole With N-chloro-succinimide; N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 2h; Inert atmosphere; Stage #2: 1-imino-1H-isoindol-3-amine With trifluoroacetic acid In dichloromethane at 20℃; Inert atmosphere; | 77% |
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 76% |
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 75% |
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
| Conditions | Yield |
|---|---|
| In methanol for 5h; Heating; | 72% |
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
62-53-3
aniline
-
-
36411-32-2
Z-3-amino-1-phenylimino-1H-isoindole
| Conditions | Yield |
|---|---|
| In ethanol for 2h; Heating; | 71% |
| Conditions | Yield |
|---|---|
| In ethanol for 22h; Heating; | 67% |
-
-
141-86-6
2,6-Diaminopyridine
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
20435-84-1
2,6-bis-(1-amino-1H-isoindole-3-ylideneamino)pyridine
| Conditions | Yield |
|---|---|
| In methanol Heating; | 62% |
-
-
3468-11-9
1-imino-1H-isoindol-3-amine
-
-
95-53-4
o-toluidine
-
-
1001410-41-8, 304864-37-7, 119472-07-0, 119472-19-4
Z-3-amino-1-(2-methylphenyl)imino-1H-isoindole
| Conditions | Yield |
|---|---|
| In butan-1-ol for 4h; Heating; | 62% |
1,3-Diiminoisoindoline Chemical Properties
Molecule structure of 1H-Isoindol-3-amine, 1-imino- (CAS NO.3468-11-9):
IUPAC Name: 3-Iminoisoindol-1-amine
Molecular Weight: 145.16128 g/mol
Molecular Formula: C8H7N3
Density: 1.41 g/cm3
Melting Point: ~197 °C (dec.)(lit.)
Boiling Point: 300.5 °C at 760 mmHg
Flash Point: 135.5 °C
Index of Refraction: 1.737
Molar Refractivity: 41.19 cm3
Molar Volume: 102.4 cm3
Polarizability: 16.33×10-24 cm3
Surface Tension: 62.2 dyne/cm
Enthalpy of Vaporization: 54.05 kJ/mol
Vapour Pressure: 0.00112 mmHg at 25 °C
XLogP3-AA: 0.5
H-Bond Donor: 2
H-Bond Acceptor: 3
Tautomer Count: 2
Exact Mass: 145.063997
MonoIsotopic Mass: 145.063997
Topological Polar Surface Area:62.2
Heavy Atom Count: 11
Canonical SMILES: C1=CC=C2C(=C1)C(=NC2=N)N
InChI: InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
InChIKey: RZVCEPSDYHAHLX-UHFFFAOYSA-N
EINECS: 222-426-8
1,3-Diiminoisoindoline Uses
1H-Isoindol-3-amine, 1-imino- (CAS NO.3468-11-9) is mainly used for dyeing and printing of cotton fabrics.
1,3-Diiminoisoindoline Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,143. | ||
| 2. | eye-rbt 250 µg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,143. |
1,3-Diiminoisoindoline Consensus Reports
Reported in EPA TSCA Inventory.
1,3-Diiminoisoindoline Safety Profile
Hazard Codes: 
Xi, 
T
Risk Statements: 36/37/38-23/24/25
R36/37/38:Irritating to eyes, respiratory system and skin.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-45-36/37/39-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S28:After contact with skin, wash immediately with plenty of soap-suds.
WGK Germany: 3
RTECS: NR3500000
F: 3-9-34
A severe eye and skin irritant. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
1,3-Diiminoisoindoline Specification
1H-Isoindol-3-amine, 1-imino- (CAS NO.3468-11-9) is also named as 1,3-Diiminoisoindolin ; 1,3-Diiminoisoindolin [Czech] ; 1,3-Diiminoisoindoline ; 1-Amino-3-iminoisoindolenine ; 1H-Isoindole, 3-amino-1-imino- ; Afastogen Blue 5040 ; Aminoiminoisoindolenine ; Diiminoisoindoline ; Fastogen Blue 5040 ; Fastogen Blue FP-3100 ; Fastogen Blue SH-100 ; Modr Ftalostanova 3G [Czech] ; Modr ftalostanova 3g ; Modr ftalostanova 3g [Czech] ; NSC 516222 ; Phthalimidimide ; Phthalocyanine Blue 01206 ; Phthalocyanine Blue 01216 ; Phthalogen .
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