Product Name

  • Name

    3-BROMO-4-METHOXYPHENYLACETONITRILE

  • EINECS -0
  • CAS No. 772-59-8
  • Article Data2
  • CAS DataBase
  • Density 1.45 g/cm3
  • Solubility
  • 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
  • Appearance
  • Safety 22-36/37
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 772-59-8 (3-BROMO-4-METHOXYPHENYLACETONITRILE)
  • Hazard Symbols IrritantXi
  • Synonyms 3-Bromo-4-methoxybenzyl cyanide;3-Bromo-4-methoxyphenylacetonitrile;Acetonitrile,(3-bromo-4-methoxyphenyl)- (7CI,8CI);
  • PSA 33.02000
  • LogP 2.52378

Benzeneacetonitrile,3-bromo-4-methoxy- Specification

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

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