CAS Registry Number: 24964-64-5

Name:

Benzonitrile, 3-​formyl-
Benzaldehyde, m-​cyano- (6CI,​7CI); Isophthalaldehydonit​rile (8CI); 3-​Cyanobenzaldehyde; 3-​Formylbenzonitrile; m-​Cyanobenzaldehyde 

Chemical Formula: C8H5NO
Exact Mass: 131.04
Molecular Weight: 131.13
m/z: 131.04 (100.0%), 132.04 (8.7%)

InChI: InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
InChIKey: HGZJJKZPPMFIBU-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC(=C1)C=O)C#N

Specification

98%

1. (1) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
2. (2) Slotta, Karl H.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1938, V71B, P59-63 CAPLUS
3. (3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
4. (4) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
6. (6) Bromilow, John; Magnetic Resonance in Chemistry 1986, V24(10), P862-71 CAPLUS
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9. (9) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
10. (10) Kayan, Berkant; Organic Preparations and Procedures International 2005, V37(1), P83-86 CAPLUS
11. (11) Brown, Herbert C.; Synthesis 1979, (9), P704-5 CAPLUS
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