Detail of "7468-67-9"

CAS Number:
7468-67-9
Name:
Benzonitrile, 2-formyl-
Superlist Name:
2-Cyanobenzaldehyde
Molecular Structure:
Formula:
C₈H₅NO
Molecular Weight:
131.13
Synonyms:
Benzaldehyde,o-cyano- (6CI);Phthalaldehydonitrile (8CI);2-Formylbenzonitrile;NSC 400131;o-Cyanobenzaldehyde;o-Formylbenzonitrile;
Density:
1.155 g/cm³
Melting Point:
103-105 °C(lit.)
Boiling Point:
284.919 °C at 760 mmHg
Flash Point:
126.115 °C
Appearance:
white to orange to beige powder
Hazard Symbols:
Xn,Xi
Risk Codes:
20/21/22-36/37/38
Safety:
26-36/37/39 Details
Transport Information:
UN 3439 6.1/PG 3

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Reference

Effects of substitution and excited wavelength on the photochemistry of benzaldehydes studied by CIDEP: Effects of substitution and excited wavelength on the photochemistry of benzaldehydes studied by CIDEP. Meng, Qing-Xiang; Sakaguchi, Yoshio; Hayashi, Hisaharu (Molecular Photochemistry Laboratory, The Institute of Physical and Chemical Research (RIKEN), Saitama 351-01, Japan). Molecular Physics, 90(1), 15-23 (English) 1997 Taylor & Francis. CODEN: MOPHAM. 2406-15-7 and 7468-67-9 are also occured in this study. ISSN: 0026-8976. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 77 Chem. induced dynamic electron polarization (CIDEP) spectra of transient radicals were measured upon photolysis of benzaldehydes (BAs) after 266 nm laser excitation. The substituent effects on CIDEP were studied for a series of substituted derivs. (CH3-, F-, Cl-, Br- and CN-) of BA in 2-propanol at room temp. For F-, Cl-, and CN-substituted BAs, CIDEP spectra were obsd. that were due to combinations of, firstly, the triplet mechanism (TM) with emissive (E) phase patterns and, secondly, the S-T0 mechanism (ST0M) of radical pairs with emissive/absorptive (E/A) phase patterns. In contrast, for CH3-substituted BAs, CIDEP spectra due only to the ST0M with E/A phase patterns were obsd. The contribution of the TM-induced CIDEP shows an increasing trend for BAs with electron-withdrawing substituents (F, Cl, and CN) and a decreasing trend for BAs with an electron-donating substituent (CH3). These substituent effects on the TM-induced CIDEP were found to be parallel to the effects on the reaction rate of hydrogen abstraction of excited BA mols.: both effects are strongly influenced by the (n,p*) and (p,p*) characteristics in the lowest excited triplet states. Furthermore, clear CIDEP signals due to the benzoyl and a-hydroxybenzyl radicals, which are produced by self-quenching of triplet BA, were newly obtained upon photolysis of a concd. acetonitrile soln. of BA (5 ′ 10-2 mol dm-3) by a 266 nm laser. This result is not consistent with the proposed wavelength effect on the BA photochem., but it is consistent with a normal radical reaction mechanism that shows no wavelength effect. .

2-Formylbenzonitrile: All Rights Reserved. 2-Formylbenzonitrile. Britton, Doyle; Cramer, Christopher J. (Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA). Acta Crystallographica, Section C: Crystal Structure Communications, C62(6), o307-o309 (English) 2006 Blackwell Publishing Ltd. CODEN: ACSCEE. ISSN: 0108-2701. DOCUMENT TYPE: Journal CA Section: 75 (Crystallography and Liquid Crystals) Section cross-reference(s): 22, 25 2-Formylbenzonitrile, C8H5NO, has an intramol. O...CN contact involving an O...C distance of 2.797(2) ? and a C-C-N bond angle of 174.5(2)°, both indicative of a weak nucleophilic attack of the aldehyde O atom on the electrophilic C atom in the nitrile group. Calcns. at the B3LYP d.Several substances like 7468-67-9 may be metioned in this study. functional level using the 6-31G* basis set support this interpretation; natural bond-order anal. indicates an nO1 ? *CN delocalization energy of 6.3 kJ mol-1. Similar results were obtained from d. functional calcns. on 3 related mols. The 2-formylbenzonitrile mols. pack in sheets as a consequence of C-H...N and C-H...O H bonds. Crystallog. data are given. .

Detail of "7468-67-9"

Benzonitrile, 2-formyl-

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CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

CAS No.7468-67-9 2-Cyanobenzaldehyde

Reference