Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzeneacetonitrile,3-bromo-4-methoxy- |
EINECS | -0 |
CAS No. | 772-59-8 | Density | 1.45 g/cm3 |
PSA | 33.02000 | LogP | 2.52378 |
Solubility | N/A | Melting Point |
50-53 °C |
Formula | C9H8BrNO | Boiling Point | 324.4 °C at 760 mmHg |
Molecular Weight | 226.073 | Flash Point | 150 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-36/37 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Bromo-4-methoxybenzyl cyanide;3-Bromo-4-methoxyphenylacetonitrile;Acetonitrile,(3-bromo-4-methoxyphenyl)- (7CI,8CI); |
Article Data | 2 |
The Benzeneacetonitrile is an organic compound with the formula C9H8BrNO. The systematic name of this chemical is (3-bromo-4-methoxyphenyl)acetonitrile. With the CAS registry number 772-59-8, it is also named as 2-(3-bromo-4-methoxyphenyl)ethanenitrile. The product's category is Aromatic Nitriles. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzeneacetonitrile are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 17.43; (5)ACD/BCF (pH 7.4): 17.43; (6)ACD/KOC (pH 5.5): 269.29; (7)ACD/KOC (pH 7.4): 269.29; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 50.08 cm3; (13)Molar Volume: 155.8 cm3; (14)Polarizability: 19.85×10-24cm3; (15)Surface Tension: 43.1 dyne/cm; (16)Density: 1.45 g/cm3; (17)Flash Point: 150 °C; (18)Enthalpy of Vaporization: 56.65 kJ/mol; (19)Boiling Point: 324.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000245 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable protective clothing and gloves and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1OC)CC#N
(2)InChI: InChI=1/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
(3)InChIKey: OBJKHHRZMIIEOK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
(5)Std. InChIKey: OBJKHHRZMIIEOK-UHFFFAOYSA-N