3-CHLORO-4-METHOXYBENZENEACETONITRILE

Modify Date: 2025-09-12 17:44:31

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure
3-CHLORO-4-METHOXYBENZENEACETONITRILE structure
Common Name 3-CHLORO-4-METHOXYBENZENEACETONITRILE
CAS Number 7569-58-6 Molecular Weight 181.61900
Density 1.198g/cm3 Boiling Point 298ºC at 760 mmHg
Molecular Formula C9H8ClNO Melting Point N/A
MSDS N/A Flash Point 134ºC

 Names

Name 2-(3-chloro-4-methoxyphenyl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.198g/cm3
Boiling Point 298ºC at 760 mmHg
Molecular Formula C9H8ClNO
Molecular Weight 181.61900
Flash Point 134ºC
Exact Mass 181.02900
PSA 33.02000
LogP 2.41468
Index of Refraction 1.536
InChIKey CDNWEVUZHGBTIV-UHFFFAOYSA-N
SMILES COc1ccc(CC#N)cc1Cl

 Safety Information

HS Code 2926909090

 Synthetic Route

~81%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2008/141119 A2, 2008 ; Location in patent: Page/Page column 75 ; WO 2008/141119 A2

~83%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

~%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Roche Palo Alto LLC Patent: US2007/88053 A1, 2007 ; Location in patent: Page/Page column 19 ;

~69%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Charifson; Wyrick; Hoffman; Ademe Simmons; Bowen; McDougald; Mailman Journal of Medicinal Chemistry, 1988 , vol. 31, # 10 p. 1941 - 1946

~90%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Kuchar; Brunova; Rejholec; et al. Collection of Czechoslovak Chemical Communications, 1984 , vol. 49, # 1 p. 122 - 136

~%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Naik; Wheeler Journal of the Chemical Society, 1938 , p. 1780,1782

~%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Munavalli,S. et al. Bulletin de la Societe Chimique de France, 1966 , p. 3311 - 3318

~%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Hromatka Chemische Berichte, 1942 , vol. 75, p. 123,129

~%

3-CHLORO-4-METHOXYBENZENEACETONITRILE Structure

3-CHLORO-4-METH...

CAS#:7569-58-6

Literature: Naik; Wheeler Journal of the Chemical Society, 1938 , p. 1780,1782

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

Benzeneacetonitrile,3-chloro-4-methoxy
3-Chloro-4-methoxybenzeneacetonitrile
3-CHLORO-4-METHOXYPHENYLACETONITRILE
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