CAS No.7569-58-6,3-CHLORO-4-METHOXYBENZENEACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7569-58-6
Name:	3-CHLORO-4-METHOXYBENZENEACETONITRILE
Article Data:	15

Formula:	C₉H₈ClNO
Molecular Weight:	181.622
Synonyms:	Acetonitrile,(3-chloro-4-methoxyphenyl)- (7CI,8CI);3-Chloro-4-methoxybenzeneacetonitrile;3-Chloro-4-methoxybenzyl cyanide;3-Chloro-4-methoxyphenylacetonitrile;
Density:	1.198 g/cm³
Boiling Point:	298 °C at 760 mmHg
Flash Point:	134 °C
PSA:	33.02000
LogP:	2.41468

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Specification

The CAS register number of Benzeneacetonitrile,3-chloro-4-methoxy- is 7569-58-6. It also can be called as 3-Chloro-4-methoxybenzeneacetonitrile and the IUPAC name about this chemical is 2-(3-chloro-4-methoxyphenyl)acetonitrile. The molecular formula about this chemical is C₉H₈ClNO and the molecular weight is 181.62. It belongs to the following product category which includes pharmacetical.

Physical properties about Benzeneacetonitrile,3-chloro-4-methoxy- are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.91; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 16.64; (5)ACD/BCF (pH 7.4): 16.64; (6)ACD/KOC (pH 5.5): 260.45; (7)ACD/KOC (pH 7.4): 260.45; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02 Å²; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 47.28 cm³; (13)Molar Volume: 151.5 cm³; (14)Polarizability: 18.74x10^-24cm³; (15)Surface Tension: 41.4 dyne/cm; (16)Density: 1.198 g/cm³; (17)Flash Point: 134 °C; (18)Enthalpy of Vaporization: 53.78 kJ/mol; (19)Boiling Point: 298 °C at 760 mmHg; (20)Vapour Pressure: 0.00131 mmHg at 25 °C.

Preparation: this chemical can be prepared by (4-methoxy-phenyl)-acetonitrile. This reaction is a kind of chlorination and it will need reagent of Cl₂.

Benzeneacetonitrile,3-chloro-4-methoxy- can be prepared by (4-methoxy-phenyl)-acetonitrile.

Uses of Benzeneacetonitrile,3-chloro-4-methoxy-: it can be used to produce 3-chloro-4-methoxy-phenethylamine. This reaction is a kind of reduction and it will need reagent of AlH₃.

Benzeneacetonitrile,3-chloro-4-methoxy- can be used to produce 3-chloro-4-methoxy-phenethylamine.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1OC)CC#N
(2)InChI: InChI=1/C9H8ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
(3)InChIKey: CDNWEVUZHGBTIV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H8ClNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
(5)Std. InChIKey: CDNWEVUZHGBTIV-UHFFFAOYSA-N