Home Nitriles 2-Hydroxybenzonitrile

2-Hydroxybenzonitrile

CAS No.:
611-20-1
Catalog Number:
AG003HFA
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003HFA
Chemical Name:
2-Hydroxybenzonitrile
CAS Number:
611-20-1
Molecular Formula:
C7H5NO
Molecular Weight:
119.1207
MDL Number:
MFCD08544279
IUPAC Name:
2-hydroxybenzonitrile
InChI:
InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChI Key:
CHZCERSEMVWNHL-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1O
EC Number:
210-259-3
UNII:
51RSM8K1VZ
NSC Number:
53558
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.037g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
119.123g/mol
Monoisotopic Mass:
119.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(III) single-molecule magnets. Dalton transactions (Cambridge, England : 2003) 20121128
Vibrational quenching of excitonic splittings in H-bonded molecular dimers: the electronic Davydov splittings cannot match experiment. The Journal of chemical physics 20120507
Development of an enzyme-linked immunosorbent assay (ELISA) for residue analysis of the fungicide azoxystrobin in agricultural products. Journal of agricultural and food chemistry 20120201
4-(Dodec-yloxy)benzonitrile. Acta crystallographica. Section E, Structure reports online 20111101
Dimeric (2-cyano-phenolato-κO){2,2'-[ethyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}manganese(III) monohydrate. Acta crystallographica. Section E, Structure reports online 20110801
(4-Cyano-phenolato)(subphthalocyaninato)boron. Acta crystallographica. Section E, Structure reports online 20110201
Rotational spectra of o-, m-, and p-cyanophenol and internal rotation of p-cyanophenol. Physical chemistry chemical physics : PCCP 20100801
Ultrafast vibrational spectroscopy of cyanophenols. The journal of physical chemistry. A 20100304
Kemp elimination: a probe reaction to study ionic liquids properties. The Journal of organic chemistry 20080502
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. Studies in mycology 20080101
Theoretical prediction of the photoinduced chemiluminescence of pesticides. Talanta 20070430
Comparative study of the hydrogen-bonded complexes of phenol and o-cyanophenol with CO Ab initio and DFT approachs. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070201
Decomposition and isomerization of 1,2-benzisoxazole: single-pulse shock-tube experiments, quantum chemical and transition-state theory calculations. The journal of physical chemistry. A 20061019
Thermal reactions of benzoxazole. Single pulse shock tube experiments and quantum chemical calculations. The journal of physical chemistry. A 20060406
Comparative solubilisation of potassium carbonate, sodium bicarbonate and sodium carbonate in hot dimethylformamide: application of cylindrical particle surface-controlled dissolution theory. Physical chemistry chemical physics : PCCP 20060207
Synthesis and biological evaluation of novel angularly fused polycyclic coumarins. Bioorganic & medicinal chemistry letters 20050801
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk). Journal of medicinal chemistry 20050505
Heterogeneous kinetics of the dissolution of an inorganic salt, potassium carbonate, in an organic solvent, dimethylformamide. The journal of physical chemistry. B 20050428
Reactions at the solid-liquid interface: surface-controlled dissolution of solid particles. The dissolution of potassium bicarbonate in dimethylformamide. The journal of physical chemistry. B 20050224
Imaging plant cell death: GFP-Nit1 aggregation marks an early step of wound and herbicide induced cell death. BMC plant biology 20050101
Geometry change of simple aromatics upon electronic excitation obtained from Franck-Condon fits of dispersed fluorescence spectra. The Journal of chemical physics 20040808
Improved sensitivity and characterization of high-speed ion chromatography of inorganic anions. Analytical chemistry 20030215
Properties