ChemicalBook--->CAS DataBase List--->3468-11-9

3468-11-9

3468-11-9 Structure

3468-11-9 Structure
IdentificationMore
[Name]

1,3-Diiminoisoindoline
[CAS]

3468-11-9
[Synonyms]

1,3-diiminoisoindolin
1,3-diimino-isoindolin
1H-Isoindol-3-amine,1-imino-
1-imino-1h-isoindol-3-amin
1-imino-1H-Isoindol-3-amine
C.I.Ingrainblue2:2
fastogenblue5040
fastogenbluefp-3100
fastogenbluesh-100
modrftalostanova3g
phthalimidimide
phthalocyanineblue01206
phthalogen
isoindoline-1,3-diimine
1,3-Diiminoisoindoline
1,3-Isoindolinediimine
Phthalimide diimide
Ingrain Brilliant Blue IF3G
1,3-Isoindolinediimine, Phthalimide diimide
[EINECS(EC#)]

222-426-8
[Molecular Formula]

C8H7N3
[MDL Number]

MFCD00010062
[Molecular Weight]

145.161
[MOL File]

3468-11-9.mol
Chemical PropertiesBack Directory
[Melting point ]

~197 °C (dec.)(lit.)
[Boiling point ]

254.27°C (rough estimate)
[density ]

1.2109 (rough estimate)
[vapor pressure ]

0.003Pa at 20℃
[refractive index ]

1.5400 (estimate)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly, Sonicated), Methanol (Slightly)
[form ]

Solid
[pka]

8.47±0.20(Predicted)
[color ]

Pale Yellow
[Water Solubility ]

31.6g/L at 20℃
[BRN ]

118477
[Major Application]

diagnostic assay manufacturing
hematology
histology
[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
[SMILES]

N=C1NC(=N)c2ccccc12
[LogP]

0.62 at 20℃
[CAS DataBase Reference]

3468-11-9(CAS DataBase Reference)
[EPA Substance Registry System]

3468-11-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi,T
[Risk Statements ]

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 ]

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 label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
[RIDADR ]

UN3077
[WGK Germany ]

3
[RTECS ]

NR3500000
[F ]

3-9-34
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

9
[HS Code ]

29252900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
[Safety Profile]

A severe eye and skin irritant. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of Nox
Hazard InformationBack Directory
[Chemical Properties]

Off yellow crystals
[Uses]

1,3-Diiminoisoindoline is a useful compound in the production of colouring compositions. Dyes and metabolites.
[Flammability and Explosibility]

Notclassified
[Purification Methods]

It crystallises from H2O, MeOH or MeOH/Et2O (charcoal) in colourless prisms that become green on heating. [Elvidge & Linstead J Chem Soc 5000 1952]. IR (nujol): 3150 and 690 cm-1 , and UV: max 251nm ( 12,500), 256nm ( 12,5000) and 303nm ( 4,600) [Elvidge & Golden J Chem Soc 700 1957, Clark et al. J Chem Soc 3593 1953]. The thiocyanate has m 250-255o (dec), the monohydrochloride has m 300-301o (turns green), and the dihydrochloride has m 326-328o (turns green) and the picrate crystallises from EtOH with m 299o (dec). [Beilstein 22/13 V 5.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Diiminoisoindoline(3468-11-9)1HNMR
1,3-Diiminoisoindoline(3468-11-9)Raman
1,3-Diiminoisoindoline(3468-11-9)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

3468-11-9(sigmaaldrich)
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