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Name	1,2-Bis(cyanomethyl)benzene	EINECS	210-351-3
CAS No.	613-73-0	Density	1.101g/cm³
PSA	47.58000	LogP	1.81876
Solubility	Insoluble in water.	Melting Point	58-61 ºC
Formula	C10H8 N2	Boiling Point	325.4°C at 760 mmHg
Molecular Weight	156.187	Flash Point	157.7°C
Transport Information	N/A	Appearance	white to yellow-beige crystals, crystalline
Safety	510075	Risk Codes	R20/21/22;R36/37/38
Molecular Structure		Hazard Symbols
Synonyms	o-Benzenediacetonitrile(7CI,8CI); (2-(Cyanomethyl)phenyl)acetonitrile; 1,2-Bis(cyanomethyl)benzene;1,2-Phenylenediacetonitrile; NSC 5170; o-Bis(cyanomethyl)benzene;o-Phenylenediacetonitrile; o-Xylylene dicyanide; a,a'-Dicyano-o-xylene	Article Data	10

1,2-Bis(cyanomethyl)benzene Synthetic route

: 140-29-4
phenylacetonitrile

: 75-05-8
acetonitrile

: 613-73-0
1,2-phenylenediacetonitrile

Conditions

Conditions	Yield
for 3h; Irradiation;	0.05%

: 89-92-9
2-methylbenzyl bromide

: 613-73-0
1,2-phenylenediacetonitrile

: 13435-20-6
tetraethylammoniumcyanide

: 91-13-4
α,α'-dibromo-o-xylene

: 613-73-0
1,2-phenylenediacetonitrile

Conditions

Conditions	Yield
In dichloromethane

: 151-50-8
potassium cyanide

: 91-13-4
α,α'-dibromo-o-xylene

: 613-73-0
1,2-phenylenediacetonitrile

: 151-50-8
potassium cyanide

o-xylylene dibromide: o-xylylene dibromide

: 613-73-0
1,2-phenylenediacetonitrile

Conditions

Conditions	Yield
With ethanol; water

: 95-47-6
o-xylene

: 613-73-0
1,2-phenylenediacetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: bromine / water / UV-irradiation 2: ethanol; water / 2 h / Reflux View Scheme

: 773837-37-9
sodium cyanide

: 91-13-4
α,α'-dibromo-o-xylene

: 613-73-0
1,2-phenylenediacetonitrile

Conditions

Conditions	Yield
In ethanol; water for 2h; Reflux;

: 1530-89-8
N-cyanomorpholine

: 613-73-0
1,2-phenylenediacetonitrile

: 1616963-14-4
2-morpholino-9H-indeno[2,1-d]pyrimidin-4-amine

Conditions

Conditions	Yield
With potassium tert-butylate In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 2h; Inert atmosphere;	96%

: 27318-90-7
1,10-phenanthroline-5,6-dione

: 613-73-0
1,2-phenylenediacetonitrile

: Naphtho[2,3-f][1,ω]phenanthroline-9,14-dicarbonitrile

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 20℃; for 36h; Condensation;	90%

: 113350-36-0, 102382-37-6
bis(acetonitrile)diiodotricarbonyltungsten(II)

: 613-73-0
1,2-phenylenediacetonitrile

: 603-35-0
triphenylphosphine

: [WI2(CO)3(C6H4(CH2CN)2)(P(C6H5)3)]

Conditions

Conditions	Yield
In dichloromethane byproducts: NCCH3; addn. of PPh3, 1 min. stirring, addn. of 1,2-C6H4(CH2CN)2, 1 h, room temp., molar ratio: 1:1:1; filtration, vac. evapn., recrystn.(CH2CL2-Et2O), elem. anal.;	89%

1,2-Bis(cyanomethyl)benzene Chemical Properties

The Molecular Structure of o-Phenylenediacetonitrile (CAS NO.613-73-0):

Empirical Formula: C₁₀H₈N₂
Molecular Weight: 156.1839
IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile
Appearance: white to yellow-beige crystals, crystalline
Nominal Mass: 156 Da
Average Mass: 156.1839 Da
Monoisotopic Mass: 156.068748 Da
Index of Refraction: 1.549
Molar Refractivity: 45.17 cm³
Molar Volume: 141.8 cm³
Surface Tension: 49.9 dyne/cm
Density: 1.101 g/cm³
Flash Point: 157.7 °C
Enthalpy of Vaporization: 56.75 kJ/mol
Boiling Point: 325.4 °C at 760 mmHg Vapour
Pressure: 0.000231 mmHg at 25°C
Product Categories: Benzene derivates
InChI
InChI=1/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2
Smiles
c1ccc(CC#N)c(c1)CC#N

1,2-Bis(cyanomethyl)benzene Safety Profile

Hazard Codes: Harmful Xn Irritant Xi
Risk Statements: 20/21/22-36/37/38
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: 36/37-36/37/39-26-36
S36/37:Wear suitable protective clothing and gloves
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
RIDADR: 3276
WGK Germany: 1
HazardClass: 6.1
PackingGroup: III

1,2-Bis(cyanomethyl)benzene Specification

o-Phenylenediacetonitrile (CAS NO.613-73-0) is also called as EINECS 210-351-3 ; O-bis(cyanomethyl)benzene ; Alpha,alpha'-dicyano-o-xylene ; 1,2-Bis(cyanomethyl)benzene ; O-xylylene cyanide ; O-xylylene dicyanide ; O-benzenediacetonitrile ; O-xylylenedicyanide,97% ; O-phenylenediacetonitrile, 99+% .

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