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2700-22-3

2700-22-3 Structure

2700-22-3 Structure
IdentificationMore
[Name]

BENZYLIDENEMALONONITRILE
[CAS]

2700-22-3
[Synonyms]

2-BENZYLIDENE-MALONONITRILE
AKOS USSH-4110217
BENZALMALONONITRILE
BENZYLIDENEMALONONITRILE
RARECHEM AL BX 0531
benzal-malonitril
benzylidene-malononitril
f2370
tl237
beta,beta-styrenedicarbonitrile
Benzylidenemalonodinitrile
Benzylidenemalononitrile, 98+%
2-Benzylidenepropanedinitrile
Dicyanovinylbenzene
Phenylmethylenemalononitrile
Malononitrile benzal
[EINECS(EC#)]

220-283-6
[Molecular Formula]

C10H6N2
[MDL Number]

MFCD00001855
[Molecular Weight]

154.17
[MOL File]

2700-22-3.mol
Chemical PropertiesBack Directory
[Appearance]

SLIGHTLY YELLOW NEEDLE-LIKE CRYSTALLINE POWDER
[Melting point ]

83-85 °C (lit.)
[Boiling point ]

120-125°C 0,6mm
[density ]

1.1975 (rough estimate)
[refractive index ]

1.4820 (estimate)
[Fp ]

120-125°C/0.6mm
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Orange to Green
[BRN ]

1907519
[CAS DataBase Reference]

2700-22-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3276
[WGK Germany ]

3
[RTECS ]

OO3500000
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
Hazard InformationBack Directory
[Chemical Properties]

SLIGHTLY YELLOW NEEDLE-LIKE CRYSTALLINE POWDER
[Uses]

Benzylidenemalononitrile was used in fluorescence-based assay for determination of soluble methane monooxygenase activity in solution.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 49, p. 4819, 1984 DOI: 10.1021/jo00199a014
Tetrahedron Letters, 23, p. 4927, 1982 DOI: 10.1016/S0040-4039(00)85749-4
[General Description]

Benzylidenemalononitrile undergoes rapid and catalyst-free solid/vapor reaction with primary alkyl amines to yield N-benzylidene-amine. It undergoes addition reaction with octyl- and decylzirconocene chloride. It is a potential substrate for soluble methane monooxygenase.
[Purification Methods]

Recrystallise the nitrile from EtOH [Bernasconi et al. J Am Chem Soc 107 3612 1985]. It has max at 307nm (EtOH). [Beilstein 9 H 895, 9 II 640, 9 III 4380, 9 IV 3462.]
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYLIDENEMALONONITRILE(2700-22-3)MS
BENZYLIDENEMALONONITRILE(2700-22-3)1HNMR
BENZYLIDENEMALONONITRILE(2700-22-3)13CNMR
BENZYLIDENEMALONONITRILE(2700-22-3)IR1
BENZYLIDENEMALONONITRILE(2700-22-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzylidenemalononitrile, 98%(2700-22-3)
[Alfa Aesar]

Benzylidenemalononitrile, 98+%(2700-22-3)
[Sigma Aldrich]

2700-22-3(sigmaaldrich)
[TCI AMERICA]

Benzalmalononitrile,>98.0%(GC)(2700-22-3)
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