Name: 2-CHLORO-6-METHOXYBENZONITRILE
SKU: 6575-10-6

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Basic Information

Molecular Structure:
CAS No.:	6575-10-6
Name:	2-CHLORO-6-METHOXYBENZONITRILE
Article Data:	7

Formula:	C₈H₆ClNO
Molecular Weight:	167.595
Synonyms:	o-Anisonitrile, 6-chloro- (7CI,8CI);2-Methoxy-6-chlorobenzonitrile;6-Chloro-2-methoxybenzonitrile;6-Chloro-o-anisonitrile;
EINECS:	229-500-9
Density:	1.25 g/cm³
Melting Point:	98-100°C
Boiling Point:	294.7 °C at 760 mmHg
Flash Point:	132 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	33.02000
LogP:	2.22028

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Specification

The Benzonitrile, 2-chloro-6-methoxy- is an organic compound with the formula C₈H₆ClNO. The IUPAC name of this chemical is 2-Chloro-6-methoxybenzonitrile. Its CAS registry number is 6575-10-6. In addition, the molecular weight is 167.59. It belongs to the product categories of Aromatics Compounds; Aromatics.

Physical properties about Benzonitrile, 2-chloro-6-methoxy- are: (1)ACD/LogP: 2.66; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.03; (6)ACD/BCF (pH 7.4): 62.03; (7)ACD/KOC (pH 5.5): 667.95; (8)ACD/KOC (pH 7.4): 667.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.51 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 16.85×10^-24 cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 132 °C; (20)Enthalpy of Vaporization: 53.43 kJ/mol; (21)Boiling Point: 294.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0016 mmHg at 25 °C.

Uses of Benzonitrile, 2-chloro-6-methoxy-: it can be used to produce other chemicals. For example, it is used to produce 2-chloro-6-methoxy-benzoic acid. The reaction occurs with reagents aq. KOH and 35 percent H₂O₂. The yield is 42 %. The reation equation is as followed:

Benzonitrile, 2-chloro-6-methoxy- can be used to produce 2-chloro-6-methoxy-benzoic acid.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(OC)cccc1Cl
(2) InChI: InChI=1/C8H6ClNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
(3) InChIKey: YRGCKBHUZNQXEL-UHFFFAOYAQ