CAS
946769-29-5 Purity
96%
946769-29-5 Purity
96%
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Salicylaldoxime
CAS
94-67-7
Catalog Number
ACM94677
Category
Other Products
Molecular Weight
137.14
Molecular Formula
C7H7NO2
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Specification
Synonyms
SALICYLALDEHYDE OXIME; Saldox; SalicyladoximeGr; 2-hydroxybenzaldoxime; o-hydroxybenzaldehyde oxime; Salicylaldehydoxime; o-Hydroxybenzaldoxime; 2-hydroxybenzaldehyde oxime; Salicaldehyde oxime;
IUPAC Name
(6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
Canonical SMILES
C1=CC(=CNO)C(=O)C=C1
InChI Key
GFCNBJDXQMZOOC-WAYWQWQTSA-N
Melting Point
56-61ºC
Flash Point
132.3ºC
Density
1.42 g/cm³
Appearance
white to off-white crystals
EC Number
202-353-8
Exact Mass
137.04800
Hazard Statements
Xi:Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
S26-S36
Stability
Stable under normal temperatures and pressures.
WGK Germany
3
What is the molecular formula of Salicylaldoxime?
The molecular formula of Salicylaldoxime is C7H7NO2.
What is the molecular weight of Salicylaldoxime?
The molecular weight of Salicylaldoxime is 137.14 g/mol.
What is the IUPAC name of Salicylaldoxime?
The IUPAC name of Salicylaldoxime is 2-[(E)-hydroxyiminomethyl]phenol.
What is the Canonical SMILES of Salicylaldoxime?
The Canonical SMILES of Salicylaldoxime is C1=CC=C(C(=C1)C=NO)O.
What is the InChIKey of Salicylaldoxime?
The InChIKey of Salicylaldoxime is ORIHZIZPTZTNCU-VMPITWQZSA-N.
What is the CAS number of Salicylaldoxime?
The CAS number of Salicylaldoxime is 94-67-7.
How many hydrogen bond donor counts does Salicylaldoxime have?
Salicylaldoxime has 2 hydrogen bond donor counts.
What is the XLogP3 value of Salicylaldoxime?
The XLogP3 value of Salicylaldoxime is 1.5.
How many hydrogen bond acceptor counts does Salicylaldoxime have?
Salicylaldoxime has 3 hydrogen bond acceptor counts.
Is Salicylaldoxime a canonicalized compound?
Yes, Salicylaldoxime is a canonicalized compound.
Upstream Synthesis Route 1
- 22755-24-4
- 108-95-2
- 94-67-7
- 699-06-9
Reference: [1] Tetrahedron Letters, 1989, vol. 30, # 42, p. 5763 - 5766
Upstream Synthesis Route 2
- 90-02-8
- 94-67-7
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1989, vol. 331, # 5, p. 870 - 872
Upstream Synthesis Route 3
- 90-02-8
- 273-53-0
- 94-67-7
Reference: [1] Tetrahedron Letters, 2011, vol. 52, # 46, p. 6103 - 6107
Upstream Synthesis Route 4
- 90-02-8
- 94-67-7
Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1989,vol. 331,p. 870 - 872
Downstream Synthesis Route 1
- 94-67-7
- 4481-51-0
Reference: [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1994,vol. 336,p. 695 - 697
[2]Tetrahedron Letters,2003,vol. 44,p. 6745 - 6747
[3]Journal of the American Chemical Society,1954,vol. 76,p. 5589,5594
[4]Journal of Organic Chemistry,2006,vol. 71,p. 4130 - 4140
[5]Tetrahedron Letters,2012,vol. 53,p. 6877 - 6880
Downstream Synthesis Route 2
- 1753-29-3
- 94-67-7
- 34101-70-7
Reference: [1]Kamel,M. et al.
[Journal fur praktische Chemie (Leipzig 1954), 1971, vol. 313, p. 129 - 136]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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