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CAS No.: | 3468-11-9 |
---|---|
Name: | 1,3-Diiminoisoindoline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H7N3 |
Molecular Weight: | 145.164 |
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; |
EINECS: | 222-426-8 |
Density: | 1.41 g/cm3 |
Melting Point: | ~197 °C (dec.)(lit.) |
Boiling Point: | 300.5 °C at 760 mmHg |
Flash Point: | 135.5 °C |
Solubility: | 31.6g/L at 20℃ |
Hazard Symbols: | Xi, T |
Risk Codes: | 36/37/38-23/24/25 |
Safety: | 26-36-45-36/37/39-28 |
PSA: | 62.23000 |
LogP: | 0.96650 |
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 |
C17H26N4O4
1-imino-1H-isoindol-3-amine
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% |
N-Boc-L-Alanyl-L-phenylalanin-hydrazid
1-imino-1H-isoindol-3-amine
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% |
adamantane-1-carbohydrazide
1-imino-1H-isoindol-3-amine
Conditions | Yield |
---|---|
In methanol for 5h; Heating; | 96% |
N-tert-butyloxycarbonylalanylalanyl hydrazide
1-imino-1H-isoindol-3-amine
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% |
1-imino-1H-isoindol-3-amine
Conditions | Yield |
---|---|
In methanol at 20℃; | 95% |
Conditions | Yield |
---|---|
In methanol for 5h; Heating; | 88% |
1-imino-1H-isoindol-3-amine
methylamine
3-(methylamino)-1-(methylimino)-1H-isoindole
Conditions | Yield |
---|---|
In ethanol for 18h; Heating; | 84% |
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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
1H-Isoindol-3-amine, 1-imino- (CAS NO.3468-11-9) is mainly used for dyeing and printing of cotton fabrics.
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. |
Reported in EPA TSCA Inventory.
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.
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 .