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CAS Number: 13388-75-5
2-(3,5-dimethoxyphenyl)acetonitrile

Structure

 2-(3,5-dimethoxyphenyl)acetonitrile
Name: 2-(3,5-dimethoxyphenyl)acetonitrile
Synonyms:
General Information
Product Number: 13388755

CAS Registry Number 13388-75-5
Name:
Benzeneacetonitrile, 3,?5-?dimethoxy-
Acetonitrile, (3,5-dimethoxyphenyl)- (7CI,8CI)
3,5-Dimethoxybenzeneacetonitrile
(3,5-Dimethoxyphenyl)acetonitrile
3,5-Dimethoxybenzyl cyanide
NSC 245126

 

Chemical Formula: C10H11NO2
Exact Mass: 177.08
Molecular Weight: 177.20
m/z: 177.08 (100.0%), 178.08 (11.3%)

 

InChI:InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3

InChI Key:UUNRWZQWCNTSCV-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=CC(=C1)CC#N)OC

 

Thermal Properties Value Condition Note
Melting Point 53 °C   (2)CAS
Melting Point 53 °C Solv: cyclohexane (110-82-7) (3)IC
Melting Point 47-49 °C   (4)CAS

Specification

98%
References
  1. (2) Adams, Roger; Journal of the American Chemical Society 1948, V70, P664-8 CAPLUS
  2. (3) Hirota, Takashi; Chemical & Pharmaceutical Bulletin 1978, V26(1), P245-50 CAPLUS
  3. (4) Bhati, A.; Tetrahedron 1962, V18, P1519-26 CAPLUS
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