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Name |
2-Bromo-4-methylbenzonitrile |
EINECS | N/A |
CAS No. | 42872-73-1 | Density | 1.51 g/cm3 |
PSA | 23.79000 | LogP | 2.62918 |
Solubility | N/A | Melting Point |
51-53 °C |
Formula | C8H6BrN | Boiling Point | 292.9 °C at 760 mmHg |
Molecular Weight | 196.046 | Flash Point | 130.9 °C |
Transport Information | UN 3439 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38-22 |
Molecular Structure | Hazard Symbols | Xn, Xi | |
Synonyms |
p-Tolunitrile,2-bromo- (6CI);2-Bromo-p-tolunitrile; |
Article Data | 15 |
Molecular Structure of 2-Bromo-4-methylbenzonitrile (CAS NO.42872-73-1):
IUPAC: 2-Bromo-4-methylbenzonitrile
Molecular Formula: C8H6BrN
Molecular Weight: 196.04
Product Categories: Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
Melting Point: 51-53oC
Density: 1.51 g/cm3
Flash Point: 130.9oC
Boiling Point: 292.9oC at 760 mmHg
Index of Refraction: 1.59
Molar Volume: 129.2 cm3
Surface Tension: 49.2 dyne/cm
Enthalpy of Vaporization: 53.24 kJ/mol
Vapour Pressure: 0.00178 mmHg at 25oC
SMILES: N#Cc1ccc(cc1Br)C
InChI: InChI=1/C8H6BrN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChIKey: JWCMJJIZYDCGTE-UHFFFAOYAR
Safety Information of 2-Bromo-4-methylbenzonitrile (CAS NO.42872-73-1):
Hazard Codes:Xi,Xn
Risk Statements:20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements:26-36/37/39
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:3439
HazardClass:IRRITANT, IRRITANT-HARMFUL
2-Bromo-4-methylbenzonitrile with cas registry number of 42872-73-1 is also known as benzonitrile, 2-bromo-4-methyl- . It would emit toxic vapors when heated to decomposition. This compound is used as a intermediate in the synthesis of phthalocyanine dyes .