ChemicalBook--->CAS DataBase List--->70591-20-7

70591-20-7

70591-20-7 Structure

70591-20-7 Structure
IdentificationBack Directory
[Name]

N-(Diphenylmethylene)aminoacetonitrile
[CAS]

70591-20-7
[Synonyms]

LABOTEST-BB LT00159830
N-(Diphenylmethylene)acetonitrile
Diphenylmethyleniminoacetonitrile
(Benzhydrylideneamino)acetonitrile
(Diphenylmethyleneamino)acetonitrile
[(Benzhydrylidene)amino]acetonitrile
N-(Diphenylmethylene)cyanomethylamine
[(Diphenylmethylene)amino]acetonitrile
N-(DIPHENYLMETHYLENE)AMINOACETONITRILE
[(Diphenylmethylene)amino]methyl cyanide
2-[(Diphenylmethylene)amino]acetonitrile
Acetonitrile,2-[(diphenylMethylene)aMino]
2-[(diphenylMethylidene)aMino]acetonitrile
N-(Diphenylmethylene)aminoacetonitrile,99%
N-(DiphenylMethylene)aMinoacetonitrile, 99% 5GR
N-(Diphenylmethylene)aminoacetonitrile≥ 98%(GC)
[EINECS(EC#)]

628-942-3
[Molecular Formula]

C15H12N2
[MDL Number]

MFCD00009970
[MOL File]

70591-20-7.mol
[Molecular Weight]

220.27
Chemical PropertiesBack Directory
[Appearance]

white to slightly grey crystals or cryst. powder
[Melting point ]

83-86 °C
[Boiling point ]

351.21°C (rough estimate)
[density ]

1.1405 (rough estimate)
[refractive index ]

1.5000 (estimate)
[storage temp. ]

0-6°C
[solubility ]

95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow
[form ]

Powder or Crystals
[pka]

1.03±0.50(Predicted)
[color ]

White to yellow or slightly gray
[λmax]

245nm(H2O)(lit.)
[InChI]

InChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
[InChIKey]

VRLJFRODHVSTIK-UHFFFAOYSA-N
[SMILES]

C(#N)C/N=C(\C1=CC=CC=C1)/C1=CC=CC=C1
Hazard InformationBack Directory
[Chemical Properties]

white to slightly grey crystals or cryst. powder
[Uses]

N-(Diphenylmethylene)aminoacetonitrile is a reagent for?α-amino acids using transition metal catalysis. It can also be used to synthesize Cathepsin B inhibitors.
[Preparation]

N-(Diphenylmethylene)aminoacetonitrile can be prepared by transimination of benzophenone imine with aminoacetonitrile hydrochloride. The crude product can often be used as it is or it can be recrystallized (Et2O/hexane or CCl4).
[storage]

stable to flash chromatography and stable at rt. It is best stored under argon to avoid contact with moisture.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

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

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

24/25-36-26
[WGK Germany ]

3
[REACH Registrations]

Inactive
[HS Code ]

29269090
Spectrum DetailBack Directory
[Spectrum Detail]

N-(Diphenylmethylene)aminoacetonitrile(70591-20-7)MS
N-(Diphenylmethylene)aminoacetonitrile(70591-20-7)1HNMR
N-(Diphenylmethylene)aminoacetonitrile(70591-20-7)IR1
N-(Diphenylmethylene)aminoacetonitrile(70591-20-7)IR2
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