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CAS No.: | 613-73-0 |
---|---|
Name: | 1,2-Bis(cyanomethyl)benzene |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H8 N2 |
Molecular Weight: | 156.187 |
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 |
EINECS: | 210-351-3 |
Density: | 1.101g/cm3 |
Melting Point: | 58-61 ºC |
Boiling Point: | 325.4°C at 760 mmHg |
Flash Point: | 157.7°C |
Solubility: | Insoluble in water. |
Appearance: | white to yellow-beige crystals, crystalline |
Hazard Symbols: | |
Risk Codes: | R20/21/22;R36/37/38 |
Safety: | 510075 |
PSA: | 47.58000 |
LogP: | 1.81876 |
Conditions | Yield |
---|---|
for 3h; Irradiation; | 0.05% |
Conditions | Yield |
---|---|
In dichloromethane |
Conditions | Yield |
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With ethanol; water |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: bromine / water / UV-irradiation 2: ethanol; water / 2 h / Reflux View Scheme |
Conditions | Yield |
---|---|
In ethanol; water for 2h; Reflux; |
N-cyanomorpholine
1,2-phenylenediacetonitrile
2-morpholino-9H-indeno[2,1-d]pyrimidin-4-amine
Conditions | Yield |
---|---|
With potassium tert-butylate In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 2h; Inert atmosphere; | 96% |
1,10-phenanthroline-5,6-dione
1,2-phenylenediacetonitrile
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol at 20℃; for 36h; Condensation; | 90% |
bis(acetonitrile)diiodotricarbonyltungsten(II)
1,2-phenylenediacetonitrile
triphenylphosphine
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% |
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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
Hazard Codes: XnXi
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
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+% .